SpectraBase Spectrum ID |
5768npz1YRe |
Name |
benzoic acid, 4-[[[(2Z)-tetrahydro-4-oxo-3-(2-phenylethyl)-2-[[(Z)-2-phenylethyl]imino]-2H-1,3-thiazin-6-yl]carbonyl]amino]- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
501.172227531 u |
Formula |
C28H27N3O4S |
InChI |
InChI=1S/C28H27N3O4S/c32-25-19-24(26(33)30-23-13-11-22(12-14-23)27(34)35)36-28(29-17-15-20-7-3-1-4-8-20)31(25)18-16-21-9-5-2-6-10-21/h1-14,24H,15-19H2,(H,30,33)(H,34,35)/b29-28- |
InChIKey |
SYJVPZFXWQSJCT-ZIADKAODSA-N |
Molecular Weight |
501.601 g/mol |
NMR Offset |
17.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_8489 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/9322843; Lab Info: PE; Lab Number: PE-0129952 |