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3'-(methylthio)succinanilic acid

View entire compound with spectra: 3 NMR, and 1 FTIR

3'-(methylthio)succinanilic acid
SpectraBase Compound ID Kc2a52Fycqu
InChI InChI=1S/C11H13NO3S/c1-16-9-4-2-3-8(7-9)12-10(13)5-6-11(14)15/h2-4,7H,5-6H2,1H3,(H,12,13)(H,14,15)
InChIKey UBMWDGPGGWBZJN-UHFFFAOYSA-N
Mol Weight 239.29 g/mol
Molecular Formula C11H13NO3S
Exact Mass 239.061614 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9o9NLdqbtue
Name 4-[3-(methylsulfanyl)anilino]-4-oxobutanoic 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/C11H13NO3S/c1-16-9-4-2-3-8(7-9)12-10(13)5-6-11(14)15/h2-4,7H,5-6H2,1H3,(H,12,13)(H,14,15)
InChIKey UBMWDGPGGWBZJN-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_2030
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/8040773; Labnumber: BOS-bs80757; IOH_ID: IOH-002031
Temperature 303 °C