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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)

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SpectraBase Spectrum ID 7riSNKXCAFA
Name Ethyl 1-Cyano-12-hydroxybicyclo[10.3.0]pentadecane-13-carboxylate
Alternate Name(s) Ethyl 3a-cyano-13a-hydroxytetradecahydro-1H-cyclopenta[12]annulene-1-carboxylate
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
Literature Reference DOI 10.1002/hlca.19850680723
Molecular Weight 321.461 g/mol
SMILES OC12C(CCCCCCCCCC2)(CCC1C(=O)OCC)C#N
SPLASH splash10-0a4j-9710000000-b5b6b5f3876cf3bab87d
Source of Spectrum H-68-1995-30b
Wiley ID 1794905