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2-(2-Hydroxybenzyl)-3-methyl-butane-1,2-diol

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

2-(2-Hydroxybenzyl)-3-methyl-butane-1,2-diol
SpectraBase Compound ID Clm4MYJMemR
InChI InChI=1S/C12H18O3/c1-9(2)12(15,8-13)7-10-5-3-4-6-11(10)14/h3-6,9,13-15H,7-8H2,1-2H3
InChIKey RTOIEHDHCQKVDD-UHFFFAOYSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3HQLBEr19LR
Name 2-(2-Hydroxybenzyl)-3-methyl-butane-1,2-diol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.125594437 u
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-9(2)12(15,8-13)7-10-5-3-4-6-11(10)14/h3-6,9,13-15H,7-8H2,1-2H3
InChIKey RTOIEHDHCQKVDD-UHFFFAOYSA-N
Molecular Weight 210.273 g/mol
SMILES C=1(O)C(=CC=CC1)CC(CO)(O)C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.866234