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(5S,3E)-7-Phenylhept-3-ene-1,5-diol

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

(5S,3E)-7-Phenylhept-3-ene-1,5-diol
SpectraBase Compound ID 5ZJZ5p9dGDU
InChI InChI=1S/C13H18O2/c14-11-5-4-8-13(15)10-9-12-6-2-1-3-7-12/h1-4,6-8,13-15H,5,9-11H2/b8-4+/t13-/m1/s1
InChIKey XOTGPHAKVLWMEC-FLUIGGAXSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1ByKunMfjQ5
Name (5S,3E)-7-Phenylhept-3-ene-1,5-diol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.130679818 u
Formula C13H18O2
InChI InChI=1S/C13H18O2/c14-11-5-4-8-13(15)10-9-12-6-2-1-3-7-12/h1-4,6-8,13-15H,5,9-11H2/b8-4+/t13-/m1/s1
InChIKey XOTGPHAKVLWMEC-FLUIGGAXSA-N
Molecular Weight 206.285 g/mol
SMILES [C@@](\C=C\CCO)(O)(CCC1=CC=CC=C1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.839964