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1,3-Benzothiazole-3-acetic acid, 2,3-dihydro-2-oxo-, (2-methoxyphenyl)methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1,3-Benzothiazole-3-acetic acid, 2,3-dihydro-2-oxo-, (2-methoxyphenyl)methyl ester
SpectraBase Compound ID EyO7l5yVlby
InChI InChI=1S/C17H15NO4S/c1-21-14-8-4-2-6-12(14)11-22-16(19)10-18-13-7-3-5-9-15(13)23-17(18)20/h2-9H,10-11H2,1H3
InChIKey KGXWQDWZICTCHE-UHFFFAOYSA-N
Mol Weight 329.37 g/mol
Molecular Formula C17H15NO4S
Exact Mass 329.072179 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CrhzoWdH4WS
Name 1,3-Benzothiazole-3-acetic acid, 2,3-dihydro-2-oxo-, (2-methoxyphenyl)methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 329.072179137 u
Formula C17H15NO4S
InChI InChI=1S/C17H15NO4S/c1-21-14-8-4-2-6-12(14)11-22-16(19)10-18-13-7-3-5-9-15(13)23-17(18)20/h2-9H,10-11H2,1H3
InChIKey KGXWQDWZICTCHE-UHFFFAOYSA-N
Molecular Weight 329.370 g/mol
SMILES C1=CC=C(C(=C1)OC)COC(CN1C(SC=2C1=CC=CC2)=O)=O