| SpectraBase Spectrum ID |
Cm56Y5ZEfz6 |
| Name |
1-Phenyl-2,3-dimethyl-4-(1-hydroxyprop-2-yl)-2,5-dihydropyrazole-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.136827826 u |
| Formula |
C14H18N2O2 |
| InChI |
InChI=1S/C14H18N2O2/c1-10(9-17)13-11(2)15(3)16(14(13)18)12-7-5-4-6-8-12/h4-8,10,17H,9H2,1-3H3 |
| InChIKey |
SEMKQTWPXPPXPE-UHFFFAOYSA-N |
| Molecular Weight |
246.310 g/mol |
| SMILES |
C=1(C(N(C=2C=CC=CC2)N(C1C)C)=O)C(CO)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809186 |
