| SpectraBase Spectrum ID |
DdeSjF280Cb |
| Name |
(E)-5-Amino-1,2-dihydro-2-phenyl-4-(3-phenylprop-2-enoyl)-3H-pyrazol-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
305.116426733 u |
| Formula |
C18H15N3O2 |
| InChI |
InChI=1S/C18H15N3O2/c19-17-16(15(22)12-11-13-7-3-1-4-8-13)18(23)21(20-17)14-9-5-2-6-10-14/h1-12,20H,19H2/b12-11+ |
| InChIKey |
XQUKNJSSCVWDJM-VAWYXSNFSA-N |
| Molecular Weight |
305.337 g/mol |
| SMILES |
C1(N(NC(=C1C(\C=C\C=1C=CC=CC1)=O)N)C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8873 |
