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4-tert-Butyl-A-ethynyl-benzylalcohol

View entire compound with spectra: 4 NMR, 1 FTIR, and 1 Raman

4-tert-Butyl-A-ethynyl-benzylalcohol
SpectraBase Compound ID F53oQNhjiXM
InChI InChI=1S/C13H16O/c1-5-12(14)10-6-8-11(9-7-10)13(2,3)4/h1,6-9,12,14H,2-4H3
InChIKey CDKPCBWQFWORLM-UHFFFAOYSA-N
Mol Weight 188.27 g/mol
Molecular Formula C13H16O
Exact Mass 188.120115 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID ALVzooeDw5o
Name 4-Tert-butyl-alpha-ethynylbenzyl alcohol; benzenemethanol, 4-(1,1-dimethylethyl)-alpha-ethynyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 188.120115134 u
Formula C13H16O
InChI InChI=1S/C13H16O/c1-5-12(14)10-6-8-11(9-7-10)13(2,3)4/h1,6-9,12,14H,2-4H3
InChIKey CDKPCBWQFWORLM-UHFFFAOYSA-N
Molecular Weight 188.270 g/mol
SMILES OC(C1=CC=C(C=C1)C(C)(C)C)C#C
Spectrum/Structure Validation Score (Raman) 0.913476