SpectraBase Spectrum ID |
D07qcUpsd28 |
Name |
benzoic acid, 4-[[[1-(3-chlorophenyl)-3-[2-(4-methyl-1-piperidinyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl]acetyl]amino]-, ethyl ester |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
556.191104429 u |
Formula |
C28H33ClN4O4S |
InChI |
InChI=1S/C28H33ClN4O4S/c1-3-37-27(36)20-7-9-22(10-8-20)30-25(34)18-24-26(35)33(23-6-4-5-21(29)17-23)28(38)32(24)16-15-31-13-11-19(2)12-14-31/h4-10,17,19,24H,3,11-16,18H2,1-2H3,(H,30,34) |
InChIKey |
OJKDCIHYNWLUPG-UHFFFAOYSA-N |
Molecular Weight |
557.109 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_2371 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/13268694 |