| SpectraBase Spectrum ID |
2VkqbkyCUoY |
| Name |
2-(1-Acetyl-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-5-methoxyphenyl (2E)-3-phenyl-2-propenoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.173607257 u |
| Formula |
C27H24N2O4 |
| InChI |
InChI=1S/C27H24N2O4/c1-19(30)29-25(21-11-7-4-8-12-21)18-24(28-29)23-15-14-22(32-2)17-26(23)33-27(31)16-13-20-9-5-3-6-10-20/h3-17,25H,18H2,1-2H3/b16-13+ |
| InChIKey |
BLQXTUKWIWOWAU-DTQAZKPQSA-N |
| Molecular Weight |
440.499 g/mol |
| SMILES |
C=1C=CC(\C=C\C(OC=2C(C3=NN(C(C3)C3=CC=CC=C3)C(=O)C)=CC=C(OC)C2)=O)=CC1 |
