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5-Bromo-2-keto-4-thiazoline-4-carboxylic acid ethyl ester
SpectraBase Compound ID 5mA1dbTWol7
InChI InChI=1S/C6H6BrNO3S/c1-2-11-5(9)3-4(7)12-6(10)8-3/h2H2,1H3,(H,8,10)
InChIKey NTOSKOLEBXLVFP-UHFFFAOYSA-N
Mol Weight 252.08 g/mol
Molecular Formula C6H6BrNO3S
Exact Mass 250.925177 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FmnQcM3YKhi
Name 5-Bromo-2-keto-4-thiazoline-4-carboxylic acid ethyl ester
Alternate Name(s) 5-Bromo-2-oxo-3H-thiazole-4-carboxylic acid ethyl ester Ethyl 5-bromanyl-2-oxidanylidene-3H-1,3-thiazole-4-carboxylate Ethyl 5-bromo-2-oxo-3H-1,3-thiazole-4-carboxylate Ethyl 5-bromo-2-oxo-3H-thiazole-4-carboxylate
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Formula C6H6BrNO3S
InChI InChI=1S/C6H6BrNO3S/c1-2-11-5(9)3-4(7)12-6(10)8-3/h2H2,1H3,(H,8,10)
InChIKey NTOSKOLEBXLVFP-UHFFFAOYSA-N
Molecular Weight 252.082 g/mol
SMILES Oc1nc(c(s1)Br)C(=O)OCC
SPLASH splash10-00fr-5930000000-6dfc6dc5f43f255dd638
Source of Spectrum H1-41-2706-3
Wiley ID 757494