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12-cyano-13-methyl-15-hexadecanolide
SpectraBase Compound ID 2AnhoVM9vIN
InChI InChI=1S/C18H31NO2/c1-15-13-16(2)21-18(20)12-10-8-6-4-3-5-7-9-11-17(15)14-19/h15-17H,3-13H2,1-2H3
InChIKey VJFWLPOKCUSVDJ-UHFFFAOYSA-N
Mol Weight 293.45 g/mol
Molecular Formula C18H31NO2
Exact Mass 293.235479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lwh24jsOUsu
Name 12-cyano-13-methyl-15-hexadecanolide
CAS Registry Number 112068-20-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H31NO2
InChI InChI=1S/C18H31NO2/c1-15-13-16(2)21-18(20)12-10-8-6-4-3-5-7-9-11-17(15)14-19/h15-17H,3-13H2,1-2H3
InChIKey VJFWLPOKCUSVDJ-UHFFFAOYSA-N
Molecular Weight 293.451 g/mol
SMILES C(#N)C1C(CC(OC(=O)CCCCCCCCCC1)C)C
SPLASH splash10-00l2-9410000000-5058d144baae4daf18d8
Source of Spectrum H-70-313-17
Synonyms 2,4-Dimethyl-16-oxooxacyclohexadecane-5-carbonitrile
Wiley ID 1296492