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Methyl 4-oxo-4-(1,3-thiazol-2-yl)butanoate
SpectraBase Compound ID KCRnuGjS8TT
InChI InChI=1S/C8H9NO3S/c1-12-7(11)3-2-6(10)8-9-4-5-13-8/h4-5H,2-3H2,1H3
InChIKey BBSURTUUVBVGBC-UHFFFAOYSA-N
Mol Weight 199.22 g/mol
Molecular Formula C8H9NO3S
Exact Mass 199.030314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQEDOOiJtzs
Name Methyl 4-oxo-4-(1,3-thiazol-2-yl)butanoate
Alternate Name(s) 4-Oxo-4-(2-thiazolyl)butanoic acid methyl ester Methyl 4-oxo-4-thiazol-2-yl-butanoate Methyl 4-oxidanylidene-4-(1,3-thiazol-2-yl)butanoate
CAS Registry Number 106961-41-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9NO3S
InChI InChI=1S/C8H9NO3S/c1-12-7(11)3-2-6(10)8-9-4-5-13-8/h4-5H,2-3H2,1H3
InChIKey BBSURTUUVBVGBC-UHFFFAOYSA-N
Molecular Weight 199.224 g/mol
SMILES c1(nccs1)C(=O)CCC(=O)OC
SPLASH splash10-03di-1900000000-dbc1bcc40b8308fd0cc4
Source of Spectrum J-53-1758-14
Wiley ID 1196484