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Cyclododecanebutanoic acid, 1-cyano-2-oxo-, ethyl ester
SpectraBase Compound ID 50xy6BgADLe
InChI InChI=1S/C19H31NO3/c1-2-23-18(22)13-11-15-19(16-20)14-10-8-6-4-3-5-7-9-12-17(19)21/h2-15H2,1H3
InChIKey OYQGRRXUYDUNQD-UHFFFAOYSA-N
Mol Weight 321.46 g/mol
Molecular Formula C19H31NO3
Exact Mass 321.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1LQG8k0FkId
Name Cyclododecanebutanoic acid, 1-cyano-2-oxo-, ethyl ester
Alternate Name(s) Ethyl 4-(1'-cyano-2'-oxocyclododecyl)butanoate Ethyl 4-(1-cyano-2-oxocyclododecyl)butanoate
CAS Registry Number 104890-95-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H31NO3
InChI InChI=1S/C19H31NO3/c1-2-23-18(22)13-11-15-19(16-20)14-10-8-6-4-3-5-7-9-12-17(19)21/h2-15H2,1H3
InChIKey OYQGRRXUYDUNQD-UHFFFAOYSA-N
Molecular Weight 321.461 g/mol
SMILES C1(C#N)(C(=O)CCCCCCCCCC1)CCCC(=O)OCC
SPLASH splash10-0007-9500000000-ca950c79b5fb402c6ab9
Source of Spectrum H-68-1995-9
Wiley ID 1321029