| SpectraBase Spectrum ID |
BMAb23gnmhs |
| Name |
(3-Benzhydryl-4,4-dimethyl-3H-pyrazol-2-yl)-phenyl-methanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.188863400 u |
| Formula |
C25H24N2O |
| InChI |
InChI=1S/C25H24N2O/c1-25(2)18-26-27(24(28)21-16-10-5-11-17-21)23(25)22(19-12-6-3-7-13-19)20-14-8-4-9-15-20/h3-18,22-23H,1-2H3 |
| InChIKey |
ZLNXIBWKHPNZEW-UHFFFAOYSA-N |
| Molecular Weight |
368.480 g/mol |
| SMILES |
C1=NN(C(C1(C)C)C(C=1C=CC=CC1)C1=CC=CC=C1)C(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95472 |
