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(2S,4E)-2-Methyl-5-phenylpent-4-en-1-ol

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

(2S,4E)-2-Methyl-5-phenylpent-4-en-1-ol
SpectraBase Compound ID BTktIM8mQKp
InChI InChI=1S/C12H16O/c1-11(10-13)6-5-9-12-7-3-2-4-8-12/h2-5,7-9,11,13H,6,10H2,1H3/b9-5+/t11-/m0/s1
InChIKey DKHVZRFQNNLHEB-NKLKJHRZSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KWOW0W5Ju4N
Name (2S,4E)-2-Methyl-5-phenylpent-4-en-1-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 176.120115134 u
Formula C12H16O
InChI InChI=1S/C12H16O/c1-11(10-13)6-5-9-12-7-3-2-4-8-12/h2-5,7-9,11,13H,6,10H2,1H3/b9-5+/t11-/m0/s1
InChIKey DKHVZRFQNNLHEB-NKLKJHRZSA-N
Molecular Weight 176.259 g/mol
SMILES C=1(\C=C\C[C@@](CO)(C)[H])C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.885112