Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 79 results

Search term: ROHFNLRQFUQHCH (Found by InChIKey (skeleton match))
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5880


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
C6H13NO2131.1729177166373584881
834


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
C6H13NO2131.1729176794375153394
388617

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1
C6H13NO2131.1729144242328349
8504788

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i7+1
C6H1315NO2132.1663324000
119204

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i6+1
C513CH13NO2132.1656304000
9248621

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i1D3/t4?,5-
C6H10D3NO2134.1914243025
17341295

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i1D3,2D3,3D2,4D,5D
C6H3D10NO2141.2345202300
17341269

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/i1D3,2D3,3D2,4D,5D
C6H3D10NO2141.2345192002
8351662

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/i7+1
C6H1315NO2132.1663181600
8351661

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/i6+1
C513CH13NO2132.1656161800
17341168

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i6+1,7+1
C513CH1315NO2133.159152000
21170270

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/i5+1
C513CH13NO2132.1656141300
8594654

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1/i7+1
C6H1315NO2132.1663131100
8924549

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i5D
C6H12DNO2132.17911312022
118633

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i6+2
C514CH13NO2133.1655121900
17218113

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1/i6+1
C513CH13NO2132.1656121300
17341054

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i5+1
C513CH13NO2132.1656121200
45848824

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1
13C6H13NO2137.1288111200
17345084

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1
13C6H1315NO2138.1223111600
21170269

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1/i5D
C6H12DNO2132.1791111100
1234

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