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1-(1'-Methyl-3'-hydroxypropyl)-2-oxocyclododecan-1-carbonitrile
SpectraBase Compound ID 9RotpEX66K1
InChI InChI=1S/C17H29NO2/c1-15(11-13-19)17(14-18)12-9-7-5-3-2-4-6-8-10-16(17)20/h15,19H,2-13H2,1H3
InChIKey FQIQVCCGVWVRCL-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 FQx2kTRLnTE
Name 1-(1'-Methyl-3'-hydroxypropyl)-2-oxocyclododecan-1-carbonitrile
CAS Registry Number 112014-83-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H29NO2
InChI InChI=1S/C17H29NO2/c1-15(11-13-19)17(14-18)12-9-7-5-3-2-4-6-8-10-16(17)20/h15,19H,2-13H2,1H3
InChIKey FQIQVCCGVWVRCL-UHFFFAOYSA-N
Molecular Weight 279.424 g/mol
SMILES OCCC(C1(C#N)C(=O)CCCCCCCCCC1)C
SPLASH splash10-002b-9510000000-456b50fdf246cca71a25
Source of Spectrum H-70-312-9
Synonyms 1-(3-hydroxy-1-methylpropyl)-2-oxocyclododecanecarbonitrile
Wiley ID 1283133