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(2R,4R)-2-Methyl-2-phenylpentane-1,4-diol

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

(2R,4R)-2-Methyl-2-phenylpentane-1,4-diol
SpectraBase Compound ID 2VEs0hpVrUm
InChI InChI=1S/C12H18O2/c1-10(14)8-12(2,9-13)11-6-4-3-5-7-11/h3-7,10,13-14H,8-9H2,1-2H3/t10-,12+/m1/s1
InChIKey KTCLPCBIRSXYAO-PWSUYJOCSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3n15DMfMouT
Name (2R,4R)-2-Methyl-2-phenylpentane-1,4-diol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 194.130679818 u
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-10(14)8-12(2,9-13)11-6-4-3-5-7-11/h3-7,10,13-14H,8-9H2,1-2H3/t10-,12+/m1/s1
InChIKey KTCLPCBIRSXYAO-PWSUYJOCSA-N
Molecular Weight 194.274 g/mol
SMILES [C@](C[C@](O)(C)[H])(C1=CC=CC=C1)(CO)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928035