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5-Methoxy-2-sulfo-benzoic acid

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5-Methoxy-2-sulfo-benzoic acid
SpectraBase Compound ID 5WP8E1Co0Au
InChI InChI=1S/C8H8O6S/c1-14-5-2-3-7(15(11,12)13)6(4-5)8(9)10/h2-4H,1H3,(H,9,10)(H,11,12,13)
InChIKey FPINBILINHMTIJ-UHFFFAOYSA-N
Mol Weight 232.21 g/mol
Molecular Formula C8H8O6S
Exact Mass 232.004159 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CL6oquYOfgc
Name benzoic acid, 5-methoxy-2-sulfo-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.004159146 u
Formula C8H8O6S
InChI InChI=1S/C8H8O6S/c1-14-5-2-3-7(15(11,12)13)6(4-5)8(9)10/h2-4H,1H3,(H,9,10)(H,11,12,13)
InChIKey FPINBILINHMTIJ-UHFFFAOYSA-N
Molecular Weight 232.206 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10805
Solvent DMSO-d6
Source Vendor ID: NMR/10252794; Lab Info: SP; Lab Number: SP-X000448