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Anti-4,4-dimethyl-1-phenylpentane-1,3-diol

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

Anti-4,4-dimethyl-1-phenylpentane-1,3-diol
SpectraBase Compound ID 90hxc1bT7x3
InChI InChI=1S/C13H20O2/c1-13(2,3)12(15)9-11(14)10-7-5-4-6-8-10/h4-8,11-12,14-15H,9H2,1-3H3
InChIKey LDKYCWVDNYEZKC-UHFFFAOYSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 72jpfdoYj7e
Name Anti-4,4-dimethyl-1-phenylpentane-1,3-diol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.146329882 u
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-13(2,3)12(15)9-11(14)10-7-5-4-6-8-10/h4-8,11-12,14-15H,9H2,1-3H3
InChIKey LDKYCWVDNYEZKC-UHFFFAOYSA-N
Molecular Weight 208.301 g/mol
SMILES C(C(C(C)(C)C)O)C(C=1C=CC=CC1)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952815