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1H-Pyrido[2,1-b]benzothiazole-4-carboxylic acid, 1-oxo-2-(phenylmethyl)-, methyl ester
SpectraBase Compound ID tqY86j2wla
InChI InChI=1S/C20H15NO3S/c1-24-20(23)15-12-14(11-13-7-3-2-4-8-13)18(22)21-16-9-5-6-10-17(16)25-19(15)21/h2-10,12H,11H2,1H3
InChIKey MJYNXINVRBZOMU-UHFFFAOYSA-N
Mol Weight 349.4 g/mol
Molecular Formula C20H15NO3S
Exact Mass 349.077265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7obVeQj3HMo
Name 1H-Pyrido[2,1-b]benzothiazole-4-carboxylic acid, 1-oxo-2-(phenylmethyl)-, methyl ester
CAS Registry Number 97684-84-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15NO3S
InChI InChI=1S/C20H15NO3S/c1-24-20(23)15-12-14(11-13-7-3-2-4-8-13)18(22)21-16-9-5-6-10-17(16)25-19(15)21/h2-10,12H,11H2,1H3
InChIKey MJYNXINVRBZOMU-UHFFFAOYSA-N
Molecular Weight 349.404 g/mol
SMILES C1=2N(C(=O)C(=CC2C(=O)OC)Cc2ccccc2)c2ccccc2S1
SPLASH splash10-0007-3097000000-7d005564efe9b57a47e0
Source of Spectrum K-118-2092-8
Synonyms 2-Benzyl-1-oxo-1H-pyrido[2,1-b]benzothiazol-4-carbonsaure-methylester Methyl 2-benzyl-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazole-4-carboxylate
Wiley ID 1341400