SpectraBase Spectrum ID |
9WW8veBSwv4 |
Name |
benzoic acid, 4-[1-(3-bromo-4-methylphenyl)-2,5-dihydro-4-hydroxy-3-(4-methoxybenzoyl)-5-oxo-1H-pyrrol-2-yl]-, methyl 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/c1-15-4-11-19(14-21(15)28)29-23(16-5-7-18(8-6-16)27(33)35-3)22(25(31)26(29)32)24(30)17-9-12-20(34-2)13-10-17/h4-14,23,31H,1-3H3 |
InChIKey |
OVJISNFBOFEAQE-UHFFFAOYSA-N |
Molecular Weight |
536.378 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_18477 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/11240442; Lab Info: GEI; Lab Number: GEI-G008366 |