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(1S,3R)-4-methyl-1-phenyl-pentane-1,3-diol

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

(1S,3R)-4-methyl-1-phenyl-pentane-1,3-diol
SpectraBase Compound ID JNxXloK5fBP
InChI InChI=1S/C12H18O2/c1-9(2)11(13)8-12(14)10-6-4-3-5-7-10/h3-7,9,11-14H,8H2,1-2H3/t11-,12+/m1/s1
InChIKey UWPRWQABFOJVSG-NEPJUHHUSA-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 5arDeHI6eAI
Name (1S,3R)-4-Methyl-1-phenyl-pentane-1,3-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/c1-9(2)11(13)8-12(14)10-6-4-3-5-7-10/h3-7,9,11-14H,8H2,1-2H3/t11-,12+/m1/s1
InChIKey UWPRWQABFOJVSG-NEPJUHHUSA-N
Molecular Weight 194.274 g/mol
SMILES C([C@@](C=1C=CC=CC1)(O)[H])[C@](C(C)C)(O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.873315