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2-{[2-(mesitylamino)-2-oxoethyl]sulfanyl}benzoic acid
SpectraBase Compound ID 67NzhFGpadL
InChI InChI=1S/C18H19NO3S/c1-11-8-12(2)17(13(3)9-11)19-16(20)10-23-15-7-5-4-6-14(15)18(21)22/h4-9H,10H2,1-3H3,(H,19,20)(H,21,22)
InChIKey LXOKGYDBYATRAC-UHFFFAOYSA-N
Mol Weight 329.41 g/mol
Molecular Formula C18H19NO3S
Exact Mass 329.108565 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2lv9aNHQaDt
Name 2-{[2-(mesitylamino)-2-oxoethyl]sulfanyl}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/C18H19NO3S/c1-11-8-12(2)17(13(3)9-11)19-16(20)10-23-15-7-5-4-6-14(15)18(21)22/h4-9H,10H2,1-3H3,(H,19,20)(H,21,22)
InChIKey LXOKGYDBYATRAC-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6474
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: NMR/11252665; Labnumber: 1389; IOH_ID: IOH-006475