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1H-Pyrido[2,1-b]benzothiazole-3,4-dicarboxylic acid, 2-methyl-1-oxo-, dimethyl ester
SpectraBase Compound ID ImWlfGetuXo
InChI InChI=1S/C16H13NO5S/c1-8-11(15(19)21-2)12(16(20)22-3)14-17(13(8)18)9-6-4-5-7-10(9)23-14/h4-7H,1-3H3
InChIKey YPSGITQFASSJQM-UHFFFAOYSA-N
Mol Weight 331.34 g/mol
Molecular Formula C16H13NO5S
Exact Mass 331.051444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ETiaH0bsgCn
Name 1H-Pyrido[2,1-b]benzothiazole-3,4-dicarboxylic acid, 2-methyl-1-oxo-, dimethyl ester
CAS Registry Number 97684-75-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO5S
InChI InChI=1S/C16H13NO5S/c1-8-11(15(19)21-2)12(16(20)22-3)14-17(13(8)18)9-6-4-5-7-10(9)23-14/h4-7H,1-3H3
InChIKey YPSGITQFASSJQM-UHFFFAOYSA-N
Molecular Weight 331.342 g/mol
SMILES C1=2N(C(=O)C(=C(C2C(=O)OC)C(=O)OC)C)c2ccccc2S1
SPLASH splash10-001i-0398000000-d419ea7e291586200d1f
Source of Spectrum K-118-2090-5
Synonyms 2-Methyl-1-oxo-1H-pyrido[2,1-b]benzothiazol-3,4-dicarbonsaure-dimethylester Dimethyl 2-methyl-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazole-3,4-dicarboxylate
Wiley ID 1328573