| SpectraBase Spectrum ID |
6i6W0MA54lk |
| Name |
2,4-Dihydropyrazol-3-one, 5-(4-chlorobenzoyl)-4,4-dihydroxy-2-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.040734538 u |
| Formula |
C16H11ClN2O4 |
| InChI |
InChI=1S/C16H11ClN2O4/c17-11-8-6-10(7-9-11)13(20)14-16(22,23)15(21)19(18-14)12-4-2-1-3-5-12/h1-9,22-23H |
| InChIKey |
DDMBBULOKKVJBX-UHFFFAOYSA-N |
| Molecular Weight |
330.727 g/mol |
| SMILES |
C1(C(=NN(C1=O)C1=CC=CC=C1)C(C1=CC=C(C=C1)Cl)=O)(O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.805675 |
