| SpectraBase Spectrum ID |
LJtYvhZgP3u |
| Name |
benzoic acid, 2-chloro-5-[(4E)-4-[[1-[(4-chlorophenyl)methyl]-1H-indol-3-yl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
503.080346881 u |
| Formula |
C27H19Cl2N3O3 |
| InChI |
InChI=1S/C27H19Cl2N3O3/c1-16-22(26(33)32(30-16)20-10-11-24(29)23(13-20)27(34)35)12-18-15-31(25-5-3-2-4-21(18)25)14-17-6-8-19(28)9-7-17/h2-13,15H,14H2,1H3,(H,34,35)/b22-12+ |
| InChIKey |
CNYDEQFYBKYZIP-WSDLNYQXSA-N |
| Molecular Weight |
504.373 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_1177 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/8034977; Lab Info: SAD; Lab Number: SAD-9830376 |
![benzoic acid, 2-chloro-5-[(4E)-4-[[1-[(4-chlorophenyl)methyl]-1H-indol-3-yl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-](/api/spectrum/LJtYvhZgP3u/structure.png?h=300&w=458 "benzoic acid, 2-chloro-5-[(4E)-4-[[1-[(4-chlorophenyl)methyl]-1H-indol-3-yl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-")
