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12-Cyano-14-methyl-15-pentadecanolide
SpectraBase Compound ID BVSaAAhnFhJ
InChI InChI=1S/C17H29NO2/c1-15-12-16(13-18)10-8-6-4-2-3-5-7-9-11-17(19)20-14-15/h15-16H,2-12,14H2,1H3
InChIKey RRMSYCRJDWNPGY-UHFFFAOYSA-N
Mol Weight 279.42 g/mol
Molecular Formula C17H29NO2
Exact Mass 279.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3UxFxPiJLTq
Name 12-Cyano-14-methyl-15-pentadecanolide
Alternate Name(s) 3-Methyl-16-oxooxacyclohexadecane-5-carbonitrile
CAS Registry Number 112014-78-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H29NO2
InChI InChI=1S/C17H29NO2/c1-15-12-16(13-18)10-8-6-4-2-3-5-7-9-11-17(19)20-14-15/h15-16H,2-12,14H2,1H3
InChIKey RRMSYCRJDWNPGY-UHFFFAOYSA-N
Molecular Weight 279.424 g/mol
SMILES C(#N)C1CC(COC(=O)CCCCCCCCCC1)C
SPLASH splash10-0005-9200000000-3fd2a75777e8148718ac
Source of Spectrum H-70-312-15
Wiley ID 1283132