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 13 results

Search term: IPEKJIHMWYWWCB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2377415

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C13H21N/c1-10(2)8-12-6-5-7-13(14-12)9-11(3)4/h5-6,12-14H,1,3,7-9H2,2,4H3
C13H21N191.31254321600
5513402

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H21N/c1-10(2)8-12-6-5-7-13(14-12)9-11(3)4/h5-6,12-14H,1,3,7-9H2,2,4H3/t12-,13-/m1/s1
C13H21N191.3125161000
10220601

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C13H21N/c1-10(2)8-12-6-5-7-13(14-12)9-11(3)4/h5-6,12-14H,1,3,7-9H2,2,4H3/t12-,13-/m1/s1/i5D,6D,7D,12D,13D/t7?,12-,13-
C13H16D5N196.3433131300
1066603

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H21N/c1-10(2)8-12-6-5-7-13(14-12)9-11(3)4/h5-6,12-14H,1,3,7-9H2,2,4H3/t12-,13+/m0/s1
C13H21N191.312510600
1066604

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H21N/c1-10(2)8-12-6-5-7-13(14-12)9-11(3)4/h5-6,12-14H,1,3,7-9H2,2,4H3/t12-,13+/m1/s1
C13H21N191.31253300
5513404

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H21N/c1-10(2)8-12-6-5-7-13(14-12)9-11(3)4/h5-6,12-14H,1,3,7-9H2,2,4H3/p+1/t12-,13+/m0/s1
C13H22N192.31993100
5026890

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H21N/c1-10(2)8-12-6-5-7-13(14-12)9-11(3)4/h5-6,12-14H,1,3,7-9H2,2,4H3/t12-,13-/m0/s1
C13H21N191.31252100
5513400

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H21N/c1-10(2)8-12-6-5-7-13(14-12)9-11(3)4/h5-6,12-14H,1,3,7-9H2,2,4H3/p+1/t12-,13+/m1/s1
C13H22N192.31991100
5513401

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H21N/c1-10(2)8-12-6-5-7-13(14-12)9-11(3)4/h5-6,12-14H,1,3,7-9H2,2,4H3/p+1/t12-,13-/m1/s1
C13H22N192.31991100
5513403

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H21N/c1-10(2)8-12-6-5-7-13(14-12)9-11(3)4/h5-6,12-14H,1,3,7-9H2,2,4H3/p+1/t12-,13-/m0/s1
C13H22N192.31991100
2647131

Charge

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C13H21N/c1-10(2)8-12-6-5-7-13(14-12)9-11(3)4/h5-6,12-14H,1,3,7-9H2,2,4H3/p+1
C13H22N192.31991100
78075976

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C13H21N/c1-10(2)8-12-6-5-7-13(14-12)9-11(3)4/h5-6,12-14H,1,3,7-9H2,2,4H3/t12-,13-/m0/s1/i5D,6D,7D,12D,13D/t7?,12-,13-
C13H16D5N196.34331100

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