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ent-(14.alpha. H)-isocopal-12-ene-15-carbonitrile
SpectraBase Compound ID 7aME7TT48uw
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-PEOUGWETSA-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 HdAJzzUMHsA
Name ent-(14.alpha. H)-isocopal-12-ene-15-carbonitrile
Alternate Name(s) [(8alpha,10alpha,14beta)-8,13-dimethylpodocarp-12-en-14-yl]acetonitrile
CAS Registry Number 121452-33-3
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-PEOUGWETSA-N
Molecular Weight 299.502 g/mol
SMILES [C@@]12(C([C@@]3(CCCC(C3CC2)(C)C)C)CC=C([C@]1(CC#N)[H])C)C
SPLASH splash10-0006-0960000000-ce511fc5ce9b23dc2751
Source of Spectrum F-44-2519-27
Wiley ID 1302275