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1-ketopyrido[2,1-b][1,3]benzothiazole-3,4-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 3qJROzzHJxO
InChI InChI=1S/C15H11NO5S/c1-20-14(18)8-7-11(17)16-9-5-3-4-6-10(9)22-13(16)12(8)15(19)21-2/h3-7H,1-2H3
InChIKey OJJGOSKKGZVKEB-UHFFFAOYSA-N
Mol Weight 317.32 g/mol
Molecular Formula C15H11NO5S
Exact Mass 317.035794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DDmWwbH7SeS
Name 1-ketopyrido[2,1-b][1,3]benzothiazole-3,4-dicarboxylic acid dimethyl ester
CAS Registry Number 77427-43-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11NO5S
InChI InChI=1S/C15H11NO5S/c1-20-14(18)8-7-11(17)16-9-5-3-4-6-10(9)22-13(16)12(8)15(19)21-2/h3-7H,1-2H3
InChIKey OJJGOSKKGZVKEB-UHFFFAOYSA-N
Molecular Weight 317.315 g/mol
SMILES C1=2N(C(=O)C=C(C2C(=O)OC)C(=O)OC)c2ccccc2S1
SPLASH splash10-066r-0194000000-a0fa7bea95f0d7282f2c
Source of Spectrum K-118-2089-5
Synonyms 1-Oxopyrido[2,1-b][1,3]benzothiazole-3,4-dicarboxylic acid dimethyl ester Dimethyl 1-oxidanylidenepyrido[2,1-b][1,3]benzothiazole-3,4-dicarboxylate Dimethyl 1-oxopyrido[2,1-b][1,3]benzothiazole-3,4-dicarboxylate
Wiley ID 1317550