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4-Methyl-3-(4-methylphenyl)-4-nitro-1-phenyl-1-pentanone
SpectraBase Compound ID 4U9lUc6FEYl
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
Mol Weight 311.38 g/mol
Molecular Formula C19H21NO3
Exact Mass 311.152144 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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