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Cyclododecanecarbonitrile, 2-oxo-1-(3-oxobutyl)-
SpectraBase Compound ID 2nY4VWd6MeU
InChI InChI=1S/C17H27NO2/c1-15(19)11-13-17(14-18)12-9-7-5-3-2-4-6-8-10-16(17)20/h2-13H2,1H3
InChIKey PMFMYNILXSPUDY-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 3R3l76CT4MO
Name Cyclododecanecarbonitrile, 2-oxo-1-(3-oxobutyl)-
CAS Registry Number 112014-74-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H27NO2
InChI InChI=1S/C17H27NO2/c1-15(19)11-13-17(14-18)12-9-7-5-3-2-4-6-8-10-16(17)20/h2-13H2,1H3
InChIKey PMFMYNILXSPUDY-UHFFFAOYSA-N
Molecular Weight 277.408 g/mol
SMILES C1(C#N)(C(=O)CCCCCCCCCC1)CCC(=O)C
SPLASH splash10-052f-9200000000-dbeb59910724e9360ee0
Source of Spectrum H-70-311-4
Synonyms 2-Oxo-1-(3-oxobutyl)cyclododecanecarbonitrile 2-Oxo-1-(3-oxobutyl)-1-cyclododecanecarbonitrile 2-Oxo-1-(3-oxobutyl)cyclododecane-1-carbonitrile 2-Oxidanylidene-1-(3-oxidanylidenebutyl)cyclododecane-1-carbonitrile
Wiley ID 1281162