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Anti-5,5-dimethyl-1-phenyl-1,4-hexanediol

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

Anti-5,5-dimethyl-1-phenyl-1,4-hexanediol
SpectraBase Compound ID CY2h1ng6AOZ
InChI InChI=1S/C14H22O2/c1-14(2,3)13(16)10-9-12(15)11-7-5-4-6-8-11/h4-8,12-13,15-16H,9-10H2,1-3H3
InChIKey GGSXXDLMAQEKSD-UHFFFAOYSA-N
Mol Weight 222.33 g/mol
Molecular Formula C14H22O2
Exact Mass 222.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6IWOaBnTh4Q
Name Anti-5,5-dimethyl-1-phenyl-1,4-hexanediol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.161979946 u
Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-14(2,3)13(16)10-9-12(15)11-7-5-4-6-8-11/h4-8,12-13,15-16H,9-10H2,1-3H3
InChIKey GGSXXDLMAQEKSD-UHFFFAOYSA-N
Molecular Weight 222.328 g/mol
SMILES C(CCC(C(C)(C)C)O)(O)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.906287