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5-Hydroxy-1-phenyl-6-methyl-hept-1-en-3-one

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

5-Hydroxy-1-phenyl-6-methyl-hept-1-en-3-one
SpectraBase Compound ID 5jJzErr3Li7
InChI InChI=1S/C14H18O2/c1-11(2)14(16)10-13(15)9-8-12-6-4-3-5-7-12/h3-9,11,14,16H,10H2,1-2H3/b9-8+
InChIKey WYJOPRRQHPVKIM-CMDGGOBGSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GJPejD9GcQK
Name 5-Hydroxy-1-phenyl-6-methyl-hept-1-en-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.130679818 u
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-11(2)14(16)10-13(15)9-8-12-6-4-3-5-7-12/h3-9,11,14,16H,10H2,1-2H3/b9-8+
InChIKey WYJOPRRQHPVKIM-CMDGGOBGSA-N
Molecular Weight 218.296 g/mol
SMILES C(\C=C\C=1C=CC=CC1)(CC(C(C)C)O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.907096