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3-benzothiazoleacetic acid, 2,3-dihydro-2-oxo-
SpectraBase Compound ID qeKZ6BVZ6a
InChI InChI=1S/C9H7NO3S/c11-8(12)5-10-6-3-1-2-4-7(6)14-9(10)13/h1-4H,5H2,(H,11,12)
InChIKey SXOCCTHWTPGZHT-UHFFFAOYSA-N
Mol Weight 209.22 g/mol
Molecular Formula C9H7NO3S
Exact Mass 209.014664 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Fenb7zym55J
Name 3-benzothiazoleacetic acid, 2,3-dihydro-2-oxo-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 209.014664260 u
Formula C9H7NO3S
InChI InChI=1S/C9H7NO3S/c11-8(12)5-10-6-3-1-2-4-7(6)14-9(10)13/h1-4H,5H2,(H,11,12)
InChIKey SXOCCTHWTPGZHT-UHFFFAOYSA-N
Molecular Weight 209.219 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7409
Solvent DMSO-d6
Source Vendor ID: NMR/10230243; Lab Info: NP; Lab Number: NP-G000242