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2-{[3-(methylsulfanyl)anilino]carbonyl}benzoic acid

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2-{[3-(methylsulfanyl)anilino]carbonyl}benzoic acid
SpectraBase Compound ID 5DQ6vz9iN2f
InChI InChI=1S/C15H13NO3S/c1-20-11-6-4-5-10(9-11)16-14(17)12-7-2-3-8-13(12)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)
InChIKey MLYZWAFBMJHHKN-UHFFFAOYSA-N
Mol Weight 287.33 g/mol
Molecular Formula C15H13NO3S
Exact Mass 287.061614 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FiypNQisZWB
Name 2-{[3-(methylsulfanyl)anilino]carbonyl}benzoic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C15H13NO3S/c1-20-11-6-4-5-10(9-11)16-14(17)12-7-2-3-8-13(12)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)
InChIKey MLYZWAFBMJHHKN-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_1087
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: ZI/8041641; Labnumber: BOS-bs80756; IOH_ID: IOH-001088
Temperature 303 °C