SpectraBase Spectrum ID |
DHJjjMAWr1M |
Name |
6-Methyl-1,4-diphenyl-1,2,4,5-tetrahydro-indazol-3-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
302.141913207 u |
Formula |
C20H18N2O |
InChI |
InChI=1S/C20H18N2O/c1-14-12-17(15-8-4-2-5-9-15)19-18(13-14)22(21-20(19)23)16-10-6-3-7-11-16/h2-11,13,17H,12H2,1H3,(H,21,23) |
InChIKey |
PEIBUABCSDDMFA-UHFFFAOYSA-N |
SMILES |
C12=C(N(C3=CC=CC=C3)NC1=O)C=C(CC2C1=CC=CC=C1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922992 |