For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(1R,2R,3aR,6aS)-6a-cyano-1-ethenyl-2,3,3a,4,5,6-hexahydro-1H-pentalene-2-carboxylic acid
SpectraBase Compound ID CxTI0V7Bj8L
InChI InChI=1S/C12H15NO2/c1-2-10-9(11(14)15)6-8-4-3-5-12(8,10)7-13/h2,8-10H,1,3-6H2,(H,14,15)/t8-,9-,10-,12+/m1/s1
InChIKey CAJROJNRLOJGOP-BFLSOPEQSA-N
Mol Weight 205.26 g/mol
Molecular Formula C12H15NO2
Exact Mass 205.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2J8SXrabFhp
Name (1R,2R,3aR,6aS)-6a-cyano-1-ethenyl-2,3,3a,4,5,6-hexahydro-1H-pentalene-2-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO2
InChI InChI=1S/C12H15NO2/c1-2-10-9(11(14)15)6-8-4-3-5-12(8,10)7-13/h2,8-10H,1,3-6H2,(H,14,15)/t8-,9-,10-,12+/m1/s1
InChIKey CAJROJNRLOJGOP-BFLSOPEQSA-N
Molecular Weight 205.257 g/mol
SMILES OC([C@]1([C@]([C@]2([C@@](C1)(CCC2)[H])C#N)(C=C)[H])[H])=O
SPLASH splash10-0933-5900000000-f19445dabb949c34361a
Source of Spectrum J-61-3877-10
Synonyms (1R,2R,3aR,6aS)-6a-cyano-1-vinyl-2,3,3a,4,5,6-hexahydro-1H-pentalene-2-carboxylic acid
Wiley ID 1203476