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2-Methyl-3-oxo-2-thiocyanatobutanoic acid ethyl ester
SpectraBase Compound ID 51TJcIkTvCi
InChI InChI=1S/C8H11NO3S/c1-4-12-7(11)8(3,6(2)10)13-5-9/h4H2,1-3H3
InChIKey UITYPFRTOVIKND-UHFFFAOYSA-N
Mol Weight 201.24 g/mol
Molecular Formula C8H11NO3S
Exact Mass 201.045964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LVwQ26yRol7
Name 2-Methyl-3-oxo-2-thiocyanatobutanoic acid ethyl ester
Alternate Name(s) 3-keto-2-methyl-2-thiocyanato-butyric acid ethyl ester Ethyl 2-methyl-3-oxidanylidene-2-thiocyanato-butanoate Ethyl 2-methyl-3-oxo-2-thiocyanato-butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11NO3S
InChI InChI=1S/C8H11NO3S/c1-4-12-7(11)8(3,6(2)10)13-5-9/h4H2,1-3H3
InChIKey UITYPFRTOVIKND-UHFFFAOYSA-N
Molecular Weight 201.240 g/mol
SMILES C(C(=O)OCC)(C(=O)C)(SC#N)C
SPLASH splash10-0a4i-9810000000-38f3b33530a39a8a50f7
Source of Spectrum F-50-7262-6
Wiley ID 1198589