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2-Methyl-5-phenyl-1-pentanol

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

2-Methyl-5-phenyl-1-pentanol
SpectraBase Compound ID CHQqvTueXEH
InChI InChI=1S/C12H18O/c1-11(10-13)6-5-9-12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3/t11-/m1/s1
InChIKey DRTBYQJIHFSKDT-LLVKDONJSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 80PeSvF4VG0
Name 2-Methyl-5-phenyl-1-pentanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 178.135765199 u
Formula C12H18O
InChI InChI=1S/C12H18O/c1-11(10-13)6-5-9-12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3/t11-/m1/s1
InChIKey DRTBYQJIHFSKDT-LLVKDONJSA-N
Molecular Weight 178.275 g/mol
SMILES C1(CCC[C@](CO)(C)[H])=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.907107