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Alanine, N-(2-cyano-3,3-dimethyl-1-thioxobutyl)-2-methyl-, methyl ester
SpectraBase Compound ID 68vF5ow8q3R
InChI InChI=1S/C12H20N2O2S/c1-11(2,3)8(7-13)9(17)14-12(4,5)10(15)16-6/h8H,1-6H3,(H,14,17)
InChIKey DKOCGPJBVISSGC-UHFFFAOYSA-N
Mol Weight 256.36 g/mol
Molecular Formula C12H20N2O2S
Exact Mass 256.124549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IDiYRXmfGv
Name Alanine, N-(2-cyano-3,3-dimethyl-1-thioxobutyl)-2-methyl-, methyl ester
CAS Registry Number 91529-75-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20N2O2S
InChI InChI=1S/C12H20N2O2S/c1-11(2,3)8(7-13)9(17)14-12(4,5)10(15)16-6/h8H,1-6H3,(H,14,17)
InChIKey DKOCGPJBVISSGC-UHFFFAOYSA-N
Molecular Weight 256.364 g/mol
SMILES N(C(C(C#N)C(C)(C)C)=S)C(C(=O)OC)(C)C
SPLASH splash10-0006-0930000000-6384cb2a8ece5a12f3f9
Source of Spectrum K-117-2221-4
Synonyms 2-(2-Cyano-3,3-dimethylthiobutyrylamino)-N,N,2-trimethylpropionamide Methyl 2-[(2-cyano-3,3-dimethylbutanethioyl)amino]-2-methylpropanoate
Wiley ID 1259448