SpectraBase Spectrum ID |
LdhVPQVawyv |
Name |
4-Methyl-3-(4-methylphenyl)-4-nitro-1-phenyl-1-pentanone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
311.152143537 u |
Formula |
C19H21NO3 |
InChI |
InChI=1S/C19H21NO3/c1-14-9-11-15(12-10-14)17(19(2,3)20(22)23)13-18(21)16-7-5-4-6-8-16/h4-12,17H,13H2,1-3H3 |
InChIKey |
FCUOMAPNSPJWCO-UHFFFAOYSA-N |
Molecular Weight |
311.381 g/mol |
SMILES |
C(N(=O)=O)(C(CC(=O)C=1C=CC=CC1)C=1C=CC(=CC1)C)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908545 |