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4-ketopyrimido[2,1-b][1,3]benzothiazole-3-carboxylic acid methyl ester
SpectraBase Compound ID 8bIKgSLoPWi
InChI InChI=1S/C12H8N2O3S/c1-17-11(16)7-6-13-12-14(10(7)15)8-4-2-3-5-9(8)18-12/h2-6H,1H3
InChIKey LLTDBCAUTJOJHC-UHFFFAOYSA-N
Mol Weight 260.27 g/mol
Molecular Formula C12H8N2O3S
Exact Mass 260.025563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KpEA8eC3OeI
Name 4-ketopyrimido[2,1-b][1,3]benzothiazole-3-carboxylic acid methyl ester
Alternate Name(s) 4-Oxo-3-pyrimido[2,1-b][1,3]benzothiazolecarboxylic acid methyl ester Methyl 4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazole-3-carboxylate Methyl 4-oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxylate
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Formula C12H8N2O3S
InChI InChI=1S/C12H8N2O3S/c1-17-11(16)7-6-13-12-14(10(7)15)8-4-2-3-5-9(8)18-12/h2-6H,1H3
InChIKey LLTDBCAUTJOJHC-UHFFFAOYSA-N
Molecular Weight 260.267 g/mol
SMILES C=12Sc3c(N2C(C(=CN1)C(=O)OC)=O)cccc3
SPLASH splash10-01t9-0290000000-5c0811d9b9b5121ca572
Source of Spectrum K-2002-744-3
Wiley ID 1580995