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2-(3'-Methylbut-3-en-1'-ynyl)-4-methoxybenzyl alcohol

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

2-(3'-Methylbut-3-en-1'-ynyl)-4-methoxybenzyl alcohol
SpectraBase Compound ID 2EnrKADZ3FF
InChI InChI=1S/C13H14O2/c1-10(2)4-5-11-8-13(15-3)7-6-12(11)9-14/h6-8,14H,1,9H2,2-3H3
InChIKey KYLRNJFFPWHCPP-UHFFFAOYSA-N
Mol Weight 202.25 g/mol
Molecular Formula C13H14O2
Exact Mass 202.09938 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2M4kf0P8iH1
Name 2-(3'-Methylbut-3-en-1'-ynyl)-4-methoxybenzyl alcohol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 202.099379689 u
Formula C13H14O2
InChI InChI=1S/C13H14O2/c1-10(2)4-5-11-8-13(15-3)7-6-12(11)9-14/h6-8,14H,1,9H2,2-3H3
InChIKey KYLRNJFFPWHCPP-UHFFFAOYSA-N
Molecular Weight 202.253 g/mol
SMILES C(#CC(=C)C)C1=C(C=CC(=C1)OC)CO
Spectrum/Structure Validation Score (Vapor Phase IR) 0.848918