| SpectraBase Spectrum ID |
CfVqpiQSeNU |
| Name |
benzoic acid, 4-[[[3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-thioxo-1-[3-(trifluoromethyl)phenyl]-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 |
629.180741355 u |
| Formula |
C31H30F3N3O6S |
| InChI |
InChI=1S/C31H30F3N3O6S/c1-4-43-29(40)20-9-11-22(12-10-20)35-27(38)18-24-28(39)37(23-7-5-6-21(17-23)31(32,33)34)30(44)36(24)15-14-19-8-13-25(41-2)26(16-19)42-3/h5-13,16-17,24H,4,14-15,18H2,1-3H3,(H,35,38) |
| InChIKey |
IEUCKHBJADBNIR-UHFFFAOYSA-N |
| Molecular Weight |
629.651 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_10379 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9323026; Lab Info: L-04; Lab Number: L-04,Polunin |
![benzoic acid, 4-[[[3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-thioxo-1-[3-(trifluoromethyl)phenyl]-4-imidazolidinyl]acetyl]amino]-, ethyl ester](/api/spectrum/CfVqpiQSeNU/structure.png?h=300&w=458 "benzoic acid, 4-[[[3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-2-thioxo-1-[3-(trifluoromethyl)phenyl]-4-imidazolidinyl]acetyl]amino]-, ethyl ester")
