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4-(2-Mercapto-4-phenyl-imidazol-1-yl)-benzoic acid methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-(2-Mercapto-4-phenyl-imidazol-1-yl)-benzoic acid methyl ester
SpectraBase Compound ID 7z5GQGMzgCj
InChI InChI=1S/C17H14N2O2S/c1-21-16(20)13-7-9-14(10-8-13)19-11-15(18-17(19)22)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,22)
InChIKey FYYOWOUOOSHKSB-UHFFFAOYSA-N
Mol Weight 310.37 g/mol
Molecular Formula C17H14N2O2S
Exact Mass 310.077599 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BW6Ij3W3HQQ
Name methyl 4-(4-phenyl-2-thioxo-2,3-dihydro-1H-imidazol-1-yl)benzoate
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/C17H14N2O2S/c1-21-16(20)13-7-9-14(10-8-13)19-11-15(18-17(19)22)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,22)
InChIKey FYYOWOUOOSHKSB-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6463
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/11252651; Labnumber: 1373; IOH_ID: IOH-006464