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Carbamic acid, N-[4-(2-cyano-1-oxoethyl)phenyl]-, ethyl ester
SpectraBase Compound ID HOhy5hhnUpZ
InChI InChI=1S/C12H12N2O3/c1-2-17-12(16)14-10-5-3-9(4-6-10)11(15)7-8-13/h3-6H,2,7H2,1H3,(H,14,16)
InChIKey IBCZCKJDBTXODP-UHFFFAOYSA-N
Mol Weight 232.24 g/mol
Molecular Formula C12H12N2O3
Exact Mass 232.084792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DDM4k94GBnk
Name Carbamic acid, N-[4-(2-cyano-1-oxoethyl)phenyl]-, ethyl ester
Alternate Name(s) Ethyl 4-(cyanoacetyl)phenylcarbamate Ethyl N-[4-(2-cyanoacetyl)phenyl]carbamate Ethyl N-[4-(2-cyanoethanoyl)phenyl]carbamate N-[4-(2-cyano-1-oxoethyl)phenyl]carbamic acid ethyl ester N-[4-(2-cyanoacetyl)phenyl]carbamic acid ethyl ester
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Formula C12H12N2O3
InChI InChI=1S/C12H12N2O3/c1-2-17-12(16)14-10-5-3-9(4-6-10)11(15)7-8-13/h3-6H,2,7H2,1H3,(H,14,16)
InChIKey IBCZCKJDBTXODP-UHFFFAOYSA-N
Molecular Weight 232.239 g/mol
SMILES N(c1ccc(cc1)C(CC#N)=O)C(OCC)=O
SPLASH splash10-0006-7910000000-a213406a35d47931e6ed
Source of Spectrum AD-0-2532-0
Wiley ID 1433050