SpectraBase Spectrum ID |
AjvPu9d4Iy0 |
Name |
benzoic acid, 4-[[[1-(4-methoxyphenyl)-3-[2-(4-methyl-1-piperidinyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl]acetyl]amino]-, ethyl ester |
Copyright |
Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
552.240641444 u |
Formula |
C29H36N4O5S |
InChI |
InChI=1S/C29H36N4O5S/c1-4-38-28(36)21-5-7-22(8-6-21)30-26(34)19-25-27(35)33(23-9-11-24(37-3)12-10-23)29(39)32(25)18-17-31-15-13-20(2)14-16-31/h5-12,20,25H,4,13-19H2,1-3H3,(H,30,34) |
InChIKey |
IQYWFUHXKBTQGC-UHFFFAOYSA-N |
Molecular Weight |
552.690 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_2367 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/13268690 |