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1-Hexen-3-one, 4-hydroxy-5,5-dimethyl-1-phenyl-, (E)-(.+-.)-

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

1-Hexen-3-one, 4-hydroxy-5,5-dimethyl-1-phenyl-, (E)-(.+-.)-
SpectraBase Compound ID K7Rr6l7EAMT
InChI InChI=1S/C14H18O2/c1-14(2,3)13(16)12(15)10-9-11-7-5-4-6-8-11/h4-10,13,16H,1-3H3/b10-9+
InChIKey PSXMYAYKCLSFHZ-MDZDMXLPSA-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 GwgQpndp9qL
Name 1-Hexen-3-one, 4-hydroxy-5,5-dimethyl-1-phenyl-, (E)-(.+-.)-
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/c1-14(2,3)13(16)12(15)10-9-11-7-5-4-6-8-11/h4-10,13,16H,1-3H3/b10-9+
InChIKey PSXMYAYKCLSFHZ-MDZDMXLPSA-N
Molecular Weight 218.296 g/mol
SMILES C(\C=C\C1=CC=CC=C1)(C(C(C)(C)C)O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968208