| SpectraBase Compound ID | IRd2aSpwdDj |
|---|---|
| InChI | InChI=1S/C31H29N3O3/c35-30(32-24-14-6-2-7-15-24)27-19-11-10-18-26(27)28(31(36)37)20-23-21-34(25-16-8-3-9-17-25)33-29(23)22-12-4-1-5-13-22/h1,3-5,8-13,16-21,24H,2,6-7,14-15H2,(H,32,35)(H,36,37)/b28-20- |
| InChIKey | IBVQVOKWYCMKHD-RRAHZORUSA-N |
| Mol Weight | 491.59 g/mol |
| Molecular Formula | C31H29N3O3 |
| Exact Mass | 491.220892 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3sojVZxM80 |
|---|---|
| Name | (Z)-2-(2-(cyclohexylcarbamoyl)phenyl)-3-(1,3-diphenyl-1H-pyrazol-4-yl)acrylic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H29N3O3 |
| InChI | InChI=1S/C31H29N3O3/c35-30(32-24-14-6-2-7-15-24)27-19-11-10-18-26(27)28(31(36)37)20-23-21-34(25-16-8-3-9-17-25)33-29(23)22-12-4-1-5-13-22/h1,3-5,8-13,16-21,24H,2,6-7,14-15H2,(H,32,35)(H,36,37)/b28-20- |
| InChIKey | IBVQVOKWYCMKHD-RRAHZORUSA-N |
| Literature Reference DOI | 10.1080/00397911.2015.1030760 |
| Molecular Weight | 491.591 g/mol |
| SMILES | N(C(c1ccccc1\C(C(O)=O)=C/c1c(n[n](c1)-c1ccccc1)-c1ccccc1)=O)C1CCCCC1 |
| SPLASH | splash10-002e-4009000000-53b453d5ecc631e04366 |
| Source of Spectrum | SK-45-1632/SM6-9b |
| Wiley ID | 1805708 |