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1-(3,5-Dimethylphenyl)-2-phenylethanone

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

1-(3,5-Dimethylphenyl)-2-phenylethanone
SpectraBase Compound ID 1QJhe8OyONq
InChI InChI=1S/C16H16O/c1-12-8-13(2)10-15(9-12)16(17)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKey QLMINIZEJASWSI-UHFFFAOYSA-N
Mol Weight 224.3 g/mol
Molecular Formula C16H16O
Exact Mass 224.120115 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EF615ykunhb
Name 1-(3,5-Dimethylphenyl)-2-phenylethanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.120115134 u
Formula C16H16O
InChI InChI=1S/C16H16O/c1-12-8-13(2)10-15(9-12)16(17)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKey QLMINIZEJASWSI-UHFFFAOYSA-N
Molecular Weight 224.303 g/mol
SMILES C=1(C=C(C=C(C1)C)C(=O)CC1=CC=CC=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.822864