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3(2H)-Benzothiazoleacetic acid, 2-oxo-, phenylmethyl ester
SpectraBase Compound ID CEOskqh9Ksx
InChI InChI=1S/C16H13NO3S/c18-15(20-11-12-6-2-1-3-7-12)10-17-13-8-4-5-9-14(13)21-16(17)19/h1-9H,10-11H2
InChIKey XXQSRUYGHFZBEY-UHFFFAOYSA-N
Mol Weight 299.34 g/mol
Molecular Formula C16H13NO3S
Exact Mass 299.061614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BdwXBM1dJTI
Name 3(2H)-Benzothiazoleacetic acid, 2-oxo-, phenylmethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO3S
InChI InChI=1S/C16H13NO3S/c18-15(20-11-12-6-2-1-3-7-12)10-17-13-8-4-5-9-14(13)21-16(17)19/h1-9H,10-11H2
InChIKey XXQSRUYGHFZBEY-UHFFFAOYSA-N
Molecular Weight 299.344 g/mol
SMILES c1ccc(COC(CN2C(Sc3c2cccc3)=O)=O)cc1
SPLASH splash10-000l-6910000000-b0c823254df0dd36a47a
Source of Spectrum IY-1-4269-8
Synonyms benzyl (2-oxo-1,3-benzothiazol-3(2H)-yl)acetate 2-(2-oxo-1,3-benzothiazol-3-yl)acetic acid (phenylmethyl) ester benzyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate (phenylmethyl) 2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethanoate
Wiley ID 1650692