| SpectraBase Spectrum ID |
GkAPjcA2nOF |
| Name |
(3-Chlorophenyl)(5-hydroxy-3-methyl-5-pyridin-3-yl-4,5-dihydropyrazol-1-yl)methanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.077454401 u |
| Formula |
C16H14ClN3O2 |
| InChI |
InChI=1S/C16H14ClN3O2/c1-11-9-16(22,13-5-3-7-18-10-13)20(19-11)15(21)12-4-2-6-14(17)8-12/h2-8,10,22H,9H2,1H3 |
| InChIKey |
REKCEODWTIZSJZ-UHFFFAOYSA-N |
| Molecular Weight |
315.760 g/mol |
| SMILES |
C1=CN=CC(C2(N(C(C3=CC=CC(=C3)Cl)=O)N=C(C2)C)O)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84137 |
