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Cyclododecanecarboxylic acid, 1-(2-cyanoethyl)-2-oxo-, methyl ester
SpectraBase Compound ID fM5uhFytf8
InChI InChI=1S/C17H27NO3/c1-21-16(20)17(13-10-14-18)12-9-7-5-3-2-4-6-8-11-15(17)19/h2-13H2,1H3
InChIKey SFNPIWLAEBCNFJ-UHFFFAOYSA-N
Mol Weight 293.41 g/mol
Molecular Formula C17H27NO3
Exact Mass 293.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IwqBAI4UUpK
Name Cyclododecanecarboxylic acid, 1-(2-cyanoethyl)-2-oxo-, methyl ester
CAS Registry Number 62939-88-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H27NO3
InChI InChI=1S/C17H27NO3/c1-21-16(20)17(13-10-14-18)12-9-7-5-3-2-4-6-8-11-15(17)19/h2-13H2,1H3
InChIKey SFNPIWLAEBCNFJ-UHFFFAOYSA-N
Molecular Weight 293.407 g/mol
SMILES C1(C(=O)OC)(C(=O)CCCCCCCCCC1)CCC#N
SPLASH splash10-0006-9230000000-5f6f0909171bb7677cff
Source of Spectrum KC-1977-262-0
Synonyms 1-(2-cyanoethyl)-2-oxo-1-cyclododecanecarboxylic acid methyl ester Methyl 1-(2-cyanoethyl)-2-oxocyclododecane-1-carboxylate Methyl 1-(2-cyanoethyl)-2-oxo-cyclododecanecarboxylate Methyl 1-(2-cyanoethyl)-2-oxidanylidene-cyclododecane-1-carboxylate
Wiley ID 1296396