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

*Links on SpectraBase are not permalinks.
Bicyclo[8.2.2]tetradeca-5,10,12,13-tetraene-4-carboxylic acid, 7-cyano-, methyl ester, (4R*,5E,7S*)-
SpectraBase Compound ID 7ZuMXK05ei9
InChI InChI=1S/C17H19NO2/c1-20-17(19)16-10-8-14-4-2-13(3-5-14)6-7-15(12-18)9-11-16/h2-5,9,11,15-16H,6-8,10H2,1H3/b11-9-/t15-,16+/m0/s1
InChIKey CJNQHPGBXLDYPZ-ZEIXHXPOSA-N
Mol Weight 269.34 g/mol
Molecular Formula C17H19NO2
Exact Mass 269.141579 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 Br3K3OtjJG5
Name Bicyclo[8.2.2]tetradeca-5,10,12,13-tetraene-4-carboxylic acid, 7-cyano-, methyl ester, (4R*,5E,7S*)-
CAS Registry Number 66388-94-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO2
InChI InChI=1S/C17H19NO2/c1-20-17(19)16-10-8-14-4-2-13(3-5-14)6-7-15(12-18)9-11-16/h2-5,9,11,15-16H,6-8,10H2,1H3/b11-9-/t15-,16+/m0/s1
InChIKey CJNQHPGBXLDYPZ-ZEIXHXPOSA-N
Molecular Weight 269.344 g/mol
SMILES C(#N)[C@@]1(\C=C/[C@](C(=O)OC)(CCc2ccc(CC1)cc2)[H])[H]
SPLASH splash10-014i-1940000000-48e32a54383a3df543ae
Source of Spectrum C-100-1812-0
Synonyms 4-Methoxycarbonyl-7-cyano-bicyclo[8.2.2]tetradeca-5-trans,10,12,13-tetraene Methyl (4R,7S)-7-cyanobicyclo[8.2.2]tetradeca-1(12),5,10,13-tetraene-4-carboxylate
Wiley ID 1273372