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1-(1'-Methyl-2'-formylethyl)-2-oxocyclododecan-1-carbonitrile
SpectraBase Compound ID CXM2cwuLg15
InChI InChI=1S/C17H27NO2/c1-15(11-13-19)17(14-18)12-9-7-5-3-2-4-6-8-10-16(17)20/h13,15H,2-12H2,1H3
InChIKey JOCAAJUWCLPMHZ-UHFFFAOYSA-N
Mol Weight 277.41 g/mol
Molecular Formula C17H27NO2
Exact Mass 277.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B7KebTdqikf
Name 1-(1'-Methyl-2'-formylethyl)-2-oxocyclododecan-1-carbonitrile
CAS Registry Number 112014-79-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H27NO2
InChI InChI=1S/C17H27NO2/c1-15(11-13-19)17(14-18)12-9-7-5-3-2-4-6-8-10-16(17)20/h13,15H,2-12H2,1H3
InChIKey JOCAAJUWCLPMHZ-UHFFFAOYSA-N
Molecular Weight 277.408 g/mol
SMILES C1(C#N)(C(=O)CCCCCCCCCC1)C(CC=O)C
SPLASH splash10-052f-9020000000-a394b4f3775d8101a8e9
Source of Spectrum H-70-312-8
Synonyms 1-(1-Methyl-3-oxopropyl)-2-oxocyclododecanecarbonitrile
Wiley ID 1281164