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6,6-Dimethyl-5-hydroxy-4-phenyl-2-heptanone

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

6,6-Dimethyl-5-hydroxy-4-phenyl-2-heptanone
SpectraBase Compound ID BENVDd544b3
InChI InChI=1S/C15H22O2/c1-11(16)10-13(14(17)15(2,3)4)12-8-6-5-7-9-12/h5-9,13-14,17H,10H2,1-4H3
InChIKey OBRBUMXJAFVGCQ-UHFFFAOYSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IxwFkPFTHi8
Name 6,6-Dimethyl-5-hydroxy-4-phenyl-2-heptanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.161979946 u
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-11(16)10-13(14(17)15(2,3)4)12-8-6-5-7-9-12/h5-9,13-14,17H,10H2,1-4H3
InChIKey OBRBUMXJAFVGCQ-UHFFFAOYSA-N
Molecular Weight 234.339 g/mol
SMILES C(C(C(C)(C)C)O)(CC(=O)C)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974979