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Isocopal-12-en-15-propionitroile
SpectraBase Compound ID 1WeTOTOLNGR
InChI InChI=1S/C23H37N/c1-17-10-11-20-22(4,18(17)9-6-7-16-24)15-12-19-21(2,3)13-8-14-23(19,20)5/h10,18-20H,6-9,11-15H2,1-5H3/t18-,19+,20+,22+,23+/m0/s1
InChIKey ZGZMJRCSGAVKAE-DEFAWVEDSA-N
Mol Weight 327.6 g/mol
Molecular Formula C23H37N
Exact Mass 327.2926 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GrhEdxUfP8x
Name Isocopal-12-en-15-propionitroile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H37N
InChI InChI=1S/C23H37N/c1-17-10-11-20-22(4,18(17)9-6-7-16-24)15-12-19-21(2,3)13-8-14-23(19,20)5/h10,18-20H,6-9,11-15H2,1-5H3/t18-,19+,20+,22+,23+/m0/s1
InChIKey ZGZMJRCSGAVKAE-DEFAWVEDSA-N
Molecular Weight 327.556 g/mol
SMILES [C@@]12([C@]([C@@]3(CCCC([C@]3(CC2)[H])(C)C)C)(CC=C([C@@]1(CCCC#N)[H])C)[H])C
SPLASH splash10-002f-0901000000-1ba1472ebbc1aa59ad8c
Source of Spectrum PS-54-101-6
Synonyms 4-[(5beta,8alpha,9beta,10alpha,14alpha)-8,13-dimethylpodocarp-12-en-14-yl]butanenitrile
Wiley ID 805206