SpectraBase Spectrum ID |
KsO58r3iX4Z |
Name |
4,4-Dimethyl-2-(4-methylbenzoyl)-5-phenyl-pyrazol-3-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
306.136827826 u |
Formula |
C19H18N2O2 |
InChI |
InChI=1S/C19H18N2O2/c1-13-9-11-15(12-10-13)17(22)21-18(23)19(2,3)16(20-21)14-7-5-4-6-8-14/h4-12H,1-3H3 |
InChIKey |
GYLMNCKSSWLLTP-UHFFFAOYSA-N |
Molecular Weight |
306.365 g/mol |
SMILES |
C1(=NN(C(C1(C)C)=O)C(C=1C=CC(=CC1)C)=O)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955382 |