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1,2-bis(3'-Methylphenyl)-etanone

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

1,2-bis(3'-Methylphenyl)-etanone
SpectraBase Compound ID 1kY0PTA3PTN
InChI InChI=1S/C16H16O/c1-12-5-3-7-14(9-12)11-16(17)15-8-4-6-13(2)10-15/h3-10H,11H2,1-2H3
InChIKey RKAQGCQFDYHANF-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 3FAH6fM4Ali
Name 1,2-bis(3'-Methylphenyl)-etanone
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/c1-12-5-3-7-14(9-12)11-16(17)15-8-4-6-13(2)10-15/h3-10H,11H2,1-2H3
InChIKey RKAQGCQFDYHANF-UHFFFAOYSA-N
Molecular Weight 224.303 g/mol
SMILES C(C=1C=C(C)C=CC1)(CC=1C=C(C)C=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893854