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2-benzothiazolebutanoic acid

View entire compound with spectra: 1 NMR

2-benzothiazolebutanoic acid
SpectraBase Compound ID 2fMpYxUwC3f
InChI InChI=1S/C11H11NO2S/c13-11(14)7-3-6-10-12-8-4-1-2-5-9(8)15-10/h1-2,4-5H,3,6-7H2,(H,13,14)
InChIKey DOTLYHUQAIHKEV-UHFFFAOYSA-N
Mol Weight 221.27 g/mol
Molecular Formula C11H11NO2S
Exact Mass 221.05105 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J5I1h2MjZ5K
Name 2-benzothiazolebutanoic acid
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 221.051049770 u
Formula C11H11NO2S
InChI InChI=1S/C11H11NO2S/c13-11(14)7-3-6-10-12-8-4-1-2-5-9(8)15-10/h1-2,4-5H,3,6-7H2,(H,13,14)
InChIKey DOTLYHUQAIHKEV-UHFFFAOYSA-N
Molecular Weight 221.274 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_1542
Solvent DMSO-d6
Source Vendor ID: NMR/13249009