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3-Hydroxy-3-phenyl-1-(p-tolyl)butan-1-one

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

3-Hydroxy-3-phenyl-1-(p-tolyl)butan-1-one
SpectraBase Compound ID BUtZR9ipAkl
InChI InChI=1S/C17H18O2/c1-13-8-10-14(11-9-13)16(18)12-17(2,19)15-6-4-3-5-7-15/h3-11,19H,12H2,1-2H3
InChIKey PZZRWDOBXZUOGB-UHFFFAOYSA-N
Mol Weight 254.33 g/mol
Molecular Formula C17H18O2
Exact Mass 254.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Fn24OaI3wAr
Name 3-Hydroxy-3-phenyl-1-p-tolylbutan-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.130679818 u
Formula C17H18O2
InChI InChI=1S/C17H18O2/c1-13-8-10-14(11-9-13)16(18)12-17(2,19)15-6-4-3-5-7-15/h3-11,19H,12H2,1-2H3
InChIKey PZZRWDOBXZUOGB-UHFFFAOYSA-N
Molecular Weight 254.329 g/mol
SMILES CC(O)(CC(=O)C1=CC=C(C=C1)C)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.868167