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Methyl .alpha.-Acetyl-.gama.-cyano-.alpha.-(cyclopentylmethyl)-1-cyclopentene-1-pentanoate
SpectraBase Compound ID 13YuukTQw42
InChI InChI=1S/C20H29NO3/c1-15(22)20(19(23)24-2,12-17-9-5-6-10-17)13-18(14-21)11-16-7-3-4-8-16/h7,17-18H,3-6,8-13H2,1-2H3
InChIKey ZHNFKIFVAGVCET-UHFFFAOYSA-N
Mol Weight 331.46 g/mol
Molecular Formula C20H29NO3
Exact Mass 331.214744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BHOqse9MkTq
Name Methyl .alpha.-Acetyl-.gama.-cyano-.alpha.-(cyclopentylmethyl)-1-cyclopentene-1-pentanoate
Alternate Name(s) Methyl 2-acetyl-4-cyano-5-(1-cyclopenten-1-yl)-2-(cyclopentylmethyl)pentanoate
CAS Registry Number 137393-53-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29NO3
InChI InChI=1S/C20H29NO3/c1-15(22)20(19(23)24-2,12-17-9-5-6-10-17)13-18(14-21)11-16-7-3-4-8-16/h7,17-18H,3-6,8-13H2,1-2H3
InChIKey ZHNFKIFVAGVCET-UHFFFAOYSA-N
Molecular Weight 331.456 g/mol
SMILES C(C(=O)OC)(C(=O)C)(CC(C#N)CC1=CCCC1)CC1CCCC1
SPLASH splash10-00or-0910000000-dae79eb3281e827eeb36
Source of Spectrum J-57-326-0
Wiley ID 1328825