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4H-Pyrimido[2,1-b][1,3]benzothiazole-2-carboxylic acid, 4-oxo-, methyl ester
SpectraBase Compound ID 7oGewiIGNdG
InChI InChI=1S/C12H8N2O3S/c1-17-11(16)7-6-10(15)14-8-4-2-3-5-9(8)18-12(14)13-7/h2-6H,1H3
InChIKey CBITWBBCIJHLLJ-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 3GLwAAxvCwl
Name 4H-Pyrimido[2,1-b][1,3]benzothiazole-2-carboxylic acid, 4-oxo-, methyl ester
Alternate Name(s) 4-Oxo-2-pyrimido[2,1-b][1,3]benzothiazolecarboxylic acid methyl ester Methyl 4-oxopyrimido[2,1-b][1,3]benzothiazole-2-carboxylate Methyl 4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazole-2-carboxylate
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Formula C12H8N2O3S
InChI InChI=1S/C12H8N2O3S/c1-17-11(16)7-6-10(15)14-8-4-2-3-5-9(8)18-12(14)13-7/h2-6H,1H3
InChIKey CBITWBBCIJHLLJ-UHFFFAOYSA-N
Molecular Weight 260.267 g/mol
SMILES C12=NC(=CC(N2c2ccccc2S1)=O)C(OC)=O
SPLASH splash10-0ik9-2490000000-6dde3c36e7bff85c8ab4
Source of Spectrum IY-1-4337-4
Wiley ID 1651357