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benzoic acid, 3-[[[[[1-(phenylmethyl)-5-(trifluoromethyl)-1H-benzimidazol-2-yl]thio]acetyl]amino]methyl]-, methyl ester
SpectraBase Compound ID 8ZVVL7aJTMS
InChI InChI=1S/C26H22F3N3O3S/c1-35-24(34)19-9-5-8-18(12-19)14-30-23(33)16-36-25-31-21-13-20(26(27,28)29)10-11-22(21)32(25)15-17-6-3-2-4-7-17/h2-13H,14-16H2,1H3,(H,30,33)
InChIKey IXTOQZLXRYRVQP-UHFFFAOYSA-N
Mol Weight 513.54 g/mol
Molecular Formula C26H22F3N3O3S
Exact Mass 513.133397 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KvKMIsGxYmo
Name benzoic acid, 3-[[[[[1-(phenylmethyl)-5-(trifluoromethyl)-1H-benzimidazol-2-yl]thio]acetyl]amino]methyl]-, methyl ester
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/C26H22F3N3O3S/c1-35-24(34)19-9-5-8-18(12-19)14-30-23(33)16-36-25-31-21-13-20(26(27,28)29)10-11-22(21)32(25)15-17-6-3-2-4-7-17/h2-13H,14-16H2,1H3,(H,30,33)
InChIKey IXTOQZLXRYRVQP-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_4809
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/17241914; Labnumber: 21c5349