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(E)-8-(4-Methoxyphenyl)oct-2-en-7-yn-1-ol

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

(E)-8-(4-Methoxyphenyl)oct-2-en-7-yn-1-ol
SpectraBase Compound ID DM3WW9xstGK
InChI InChI=1S/C15H18O2/c1-17-15-11-9-14(10-12-15)8-6-4-2-3-5-7-13-16/h5,7,9-12,16H,2-4,13H2,1H3/b7-5+
InChIKey MGDVFQWZLJTAGD-FNORWQNLSA-N
Mol Weight 230.31 g/mol
Molecular Formula C15H18O2
Exact Mass 230.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ICER6b4UGzu
Name (E)-8-(4-Methoxyphenyl)oct-2-en-7-yn-1-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.130679818 u
Formula C15H18O2
InChI InChI=1S/C15H18O2/c1-17-15-11-9-14(10-12-15)8-6-4-2-3-5-7-13-16/h5,7,9-12,16H,2-4,13H2,1H3/b7-5+
InChIKey MGDVFQWZLJTAGD-FNORWQNLSA-N
Molecular Weight 230.307 g/mol
SMILES C(CC#CC1=CC=C(C=C1)OC)C\C=C\CO
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96885