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

*Links on SpectraBase are not permalinks.

1H-Cyclopentacyclododecene-1-carboxylic acid, 3a-cyanotetradecahydro-13a-hydroxy-, ethyl ester

View entire compound with spectra: 3 MS (GC)

1H-Cyclopentacyclododecene-1-carboxylic acid, 3a-cyanotetradecahydro-13a-hydroxy-, ethyl ester
SpectraBase Compound ID n02dY3Oew3
InChI InChI=1S/C19H31NO3/c1-2-23-17(21)16-11-14-18(15-20)12-9-7-5-3-4-6-8-10-13-19(16,18)22/h16,22H,2-14H2,1H3
InChIKey BVPSZVPRMBGOCW-UHFFFAOYSA-N
Mol Weight 321.46 g/mol
Molecular Formula C19H31NO3
Exact Mass 321.230394 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 2BRUWaTdfoS
Name 1H-Cyclopentacyclododecene-1-carboxylic acid, 3a-cyanotetradecahydro-13a-hydroxy-, ethyl ester
CAS Registry Number 104890-87-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H31NO3
InChI InChI=1S/C19H31NO3/c1-2-23-17(21)16-11-14-18(15-20)12-9-7-5-3-4-6-8-10-13-19(16,18)22/h16,22H,2-14H2,1H3
InChIKey BVPSZVPRMBGOCW-UHFFFAOYSA-N
Molecular Weight 321.461 g/mol
SMILES OC12C(C(=O)OCC)CCC2(C#N)CCCCCCCCCC1
SPLASH splash10-052b-8910000000-a87998135458c4221556
Source of Spectrum H-68-2090-4
Synonyms isomer ethyl 1-cyano-12-hydroxybicyclo[10.3.0]pentadecane-13-carboxylate Ethyl 1-cyano-12-hydroxybicyclo[10.3.0]pentadecane-13-carboxylate Ethyl 3a-cyano-13a-hydroxytetradecahydro-1H-cyclopenta[a]cyclododecene-1-carboxylate
Wiley ID 1321028