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1-Phenylheptan-1-ol

View entire compound with spectra: 1 NMR, 1 FTIR, 1 Raman, and 3 MS (GC)

1-Phenylheptan-1-ol
SpectraBase Compound ID 49vS4Bop1Xs
InChI InChI=1S/C13H20O/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h5-7,9-10,13-14H,2-4,8,11H2,1H3
InChIKey UAJVCELPUNHGKE-UHFFFAOYSA-N
Mol Weight 192.3 g/mol
Molecular Formula C13H20O
Exact Mass 192.151415 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 9bfK7g6xwIT
Name 1-Heptanol, 1-phenyl-alpha-; hexylbenzenemethanol; benzenemethanol, alpha-hexyl-; benzyl alcohol, alpha-hexyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 192.151415263 u
Formula C13H20O
InChI InChI=1S/C13H20O/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h5-7,9-10,13-14H,2-4,8,11H2,1H3
InChIKey UAJVCELPUNHGKE-UHFFFAOYSA-N
Molecular Weight 192.302 g/mol
SMILES OC(C1=CC=CC=C1)CCCCCC
Spectrum/Structure Validation Score (Raman) 0.984566