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A-Ethynyl-4-isopropyl-benzylalcohol

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

A-Ethynyl-4-isopropyl-benzylalcohol
SpectraBase Compound ID 4xKxh9VA5fj
InChI InChI=1S/C12H14O/c1-4-12(13)11-7-5-10(6-8-11)9(2)3/h1,5-9,12-13H,2-3H3
InChIKey HJXHCIGCUICKJP-UHFFFAOYSA-N
Mol Weight 174.24 g/mol
Molecular Formula C12H14O
Exact Mass 174.104465 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID AeVUNHzVPTW
Name alpha-Ethynyl-4-isopropyl-benzylalcohol; benzenemethanol, alpha-ethynyl-4-(1-methylethyl)-; p-cymen-7-ol, 7-ethynyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 174.104465070 u
Formula C12H14O
InChI InChI=1S/C12H14O/c1-4-12(13)11-7-5-10(6-8-11)9(2)3/h1,5-9,12-13H,2-3H3
InChIKey HJXHCIGCUICKJP-UHFFFAOYSA-N
Molecular Weight 174.243 g/mol
SMILES OC(C1=CC=C(C=C1)C(C)C)C#C
Spectrum/Structure Validation Score (Raman) 0.856815