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isocopal-12-ene-15-carbonitrile
SpectraBase Compound ID G3Y99zAFX9H
InChI InChI=1S/C21H33N/c1-15-7-8-18-20(4,16(15)10-14-22)13-9-17-19(2,3)11-6-12-21(17,18)5/h7,16-18H,6,8-13H2,1-5H3/t16?,17?,18?,20-,21-/m1/s1
InChIKey NFIGSQFBWUIDPP-BMCGFAJBSA-N
Mol Weight 299.5 g/mol
Molecular Formula C21H33N
Exact Mass 299.2613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID b0eqi5X6n4
Name isocopal-12-ene-15-carbonitrile
CAS Registry Number 121452-28-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H33N
InChI InChI=1S/C21H33N/c1-15-7-8-18-20(4,16(15)10-14-22)13-9-17-19(2,3)11-6-12-21(17,18)5/h7,16-18H,6,8-13H2,1-5H3/t16?,17?,18?,20-,21-/m1/s1
InChIKey NFIGSQFBWUIDPP-BMCGFAJBSA-N
Molecular Weight 299.502 g/mol
SMILES [C@@]12(C([C@@]3(CCCC(C3CC2)(C)C)C)CC=C(C1CC#N)C)C
SPLASH splash10-0006-0910000000-0425309e0531f8b0bfab
Source of Spectrum F-44-2517-14
Synonyms [(8alpha,10alpha)-8,13-dimethylpodocarp-12-en-14-yl]acetonitrile
Wiley ID 1302277