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Cyclododecanepentanoic acid, 1-cyano-2-oxo-, ethyl ester
SpectraBase Compound ID HZPAijoHaf9
InChI InChI=1S/C20H33NO3/c1-2-24-19(23)14-10-12-16-20(17-21)15-11-8-6-4-3-5-7-9-13-18(20)22/h2-16H2,1H3
InChIKey IGLWNUURTAUFHY-UHFFFAOYSA-N
Mol Weight 335.5 g/mol
Molecular Formula C20H33NO3
Exact Mass 335.246044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5zUf2ONnvud
Name Cyclododecanepentanoic acid, 1-cyano-2-oxo-, ethyl ester
Alternate Name(s) Ethyl 5-(1'-cyano-2'-oxocyclododecyl)pentanoate Ethyl 5-(1-cyano-2-oxocyclododecyl)pentanoate
CAS Registry Number 104891-00-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H33NO3
InChI InChI=1S/C20H33NO3/c1-2-24-19(23)14-10-12-16-20(17-21)15-11-8-6-4-3-5-7-9-13-18(20)22/h2-16H2,1H3
InChIKey IGLWNUURTAUFHY-UHFFFAOYSA-N
Molecular Weight 335.488 g/mol
SMILES C1(C#N)(C(=O)CCCCCCCCCC1)CCCCC(=O)OCC
SPLASH splash10-000y-9300000000-cd0d1479767a28dfe0d1
Source of Spectrum H-68-1995-15
Wiley ID 1331784