| SpectraBase Spectrum ID |
LtnWhanaXjX |
| Name |
benzoic acid, 4-[4-[2-[(4-methoxyphenyl)amino]-2-oxoethyl]-5-oxo-3-[2-(2-pyridinyl)ethyl]-2-thioxo-1-imidazolidinyl]-, 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 |
532.178041187 u |
| Formula |
C28H28N4O5S |
| InChI |
InChI=1S/C28H28N4O5S/c1-3-37-27(35)19-7-11-22(12-8-19)32-26(34)24(18-25(33)30-21-9-13-23(36-2)14-10-21)31(28(32)38)17-15-20-6-4-5-16-29-20/h4-14,16,24H,3,15,17-18H2,1-2H3,(H,30,33) |
| InChIKey |
HCOGSVWQZXFMAJ-UHFFFAOYSA-N |
| Molecular Weight |
532.615 g/mol |
| NMR Offset |
17.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_6701 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10220281; Lab Info: PE; Lab Number: PE-0790250 |
![benzoic acid, 4-[4-[2-[(4-methoxyphenyl)amino]-2-oxoethyl]-5-oxo-3-[2-(2-pyridinyl)ethyl]-2-thioxo-1-imidazolidinyl]-, ethyl ester](/api/spectrum/LtnWhanaXjX/structure.png?h=300&w=458 "benzoic acid, 4-[4-[2-[(4-methoxyphenyl)amino]-2-oxoethyl]-5-oxo-3-[2-(2-pyridinyl)ethyl]-2-thioxo-1-imidazolidinyl]-, ethyl ester")
