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 11 results

Search term: NDAUXUAQIAJITI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
1999


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
C13H21NO3239.31071495279760794
110192

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/t12-/m0/s1
C13H21NO3239.31076999760190
28576355

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/i1D3,2D3,3D3
C13H12D9NO3248.3662222200
158447

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/t12-/m1/s1
C13H21NO3239.3107203100
24533057

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/i8D2,12D
C13H18D3NO3242.3292101600
5294253

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/p+1/t12-/m0/s1
C13H22NO3240.318683200
77494452

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/i7D,8D2,12D
C13H17D4NO3243.33543400
5294314

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/p+1/t12-/m1/s1
C13H22NO3240.318682100
95714676

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/i1D3,2D3
C13H15D6NO3245.34771100
107438206

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/i4+1,5+1,6+1,9+1,10+1,11+1
C713C6H21NO3245.26671100
4287808

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3/p+1
C13H22NO3240.318681100

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