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3-(4-Nitrobenzyl)-4-phenyl-2-butanone

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

3-(4-Nitrobenzyl)-4-phenyl-2-butanone
SpectraBase Compound ID D2gHWk0JhzX
InChI InChI=1S/C17H17NO3/c1-13(19)16(11-14-5-3-2-4-6-14)12-15-7-9-17(10-8-15)18(20)21/h2-10,16H,11-12H2,1H3
InChIKey RSNIDOBTIROYLW-UHFFFAOYSA-N
Mol Weight 283.33 g/mol
Molecular Formula C17H17NO3
Exact Mass 283.120843 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ai0hiv8vWmb
Name 3-(4-Nitrobenzyl)-4-phenyl-2-butanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 283.120843408 u
Formula C17H17NO3
InChI InChI=1S/C17H17NO3/c1-13(19)16(11-14-5-3-2-4-6-14)12-15-7-9-17(10-8-15)18(20)21/h2-10,16H,11-12H2,1H3
InChIKey RSNIDOBTIROYLW-UHFFFAOYSA-N
SMILES C1(N(=O)=O)=CC=C(CC(C(=O)C)CC=2C=CC=CC2)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937906