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5-Hydroxy-2,2-dimethyl-7-phenylheptan-3-one

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

5-Hydroxy-2,2-dimethyl-7-phenylheptan-3-one
SpectraBase Compound ID KIgkH2SLwtQ
InChI InChI=1S/C15H22O2/c1-15(2,3)14(17)11-13(16)10-9-12-7-5-4-6-8-12/h4-8,13,16H,9-11H2,1-3H3
InChIKey YHHMWCHYXRGIRS-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 BTFodlFIFaw
Name 5-Hydroxy-2,2-dimethyl-7-phenylheptan-3-one
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/c1-15(2,3)14(17)11-13(16)10-9-12-7-5-4-6-8-12/h4-8,13,16H,9-11H2,1-3H3
InChIKey YHHMWCHYXRGIRS-UHFFFAOYSA-N
Molecular Weight 234.339 g/mol
SMILES C(CC(CCC1=CC=CC=C1)O)(C(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922127