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1-(3-Nitrophenyl)-3-phenylpropan-1-one

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

1-(3-Nitrophenyl)-3-phenylpropan-1-one
SpectraBase Compound ID ErI9rpFDgFl
InChI InChI=1S/C15H13NO3/c17-15(10-9-12-5-2-1-3-6-12)13-7-4-8-14(11-13)16(18)19/h1-8,11H,9-10H2
InChIKey HYWAEBQUVWHKRF-UHFFFAOYSA-N
Mol Weight 255.27 g/mol
Molecular Formula C15H13NO3
Exact Mass 255.089543 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 28maxNVFB6C
Name 1-(3-Nitrophenyl)-3-phenylpropan-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 255.089543280 u
Formula C15H13NO3
InChI InChI=1S/C15H13NO3/c17-15(10-9-12-5-2-1-3-6-12)13-7-4-8-14(11-13)16(18)19/h1-8,11H,9-10H2
InChIKey HYWAEBQUVWHKRF-UHFFFAOYSA-N
Molecular Weight 255.273 g/mol
SMILES C(CCC=1C=CC=CC1)(=O)C=1C=C(C=CC1)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.857515