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 |