| SpectraBase Spectrum ID |
GWAT3CBrsoE |
| Name |
benzoic acid, 4-[2-(4-bromophenyl)-2,5-dihydro-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-1H-pyrrol-1-yl]-, 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 |
535.063050426 u |
| Formula |
C27H22BrNO6 |
| InChI |
InChI=1S/C27H22BrNO6/c1-3-35-27(33)18-6-12-20(13-7-18)29-23(16-4-10-19(28)11-5-16)22(25(31)26(29)32)24(30)17-8-14-21(34-2)15-9-17/h4-15,23,31H,3H2,1-2H3 |
| InChIKey |
KLWHLIMWYTUGGC-UHFFFAOYSA-N |
| Molecular Weight |
536.378 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_3326 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9278581; Lab Number: BAS 1029179 |
| Temperature |
29.85 °C |
![benzoic acid, 4-[2-(4-bromophenyl)-2,5-dihydro-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-1H-pyrrol-1-yl]-, ethyl ester](/api/spectrum/GWAT3CBrsoE/structure.png?h=300&w=458 "benzoic acid, 4-[2-(4-bromophenyl)-2,5-dihydro-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-1H-pyrrol-1-yl]-, ethyl ester")
