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(2S,4R)-2,4-dimethyl-5-p-anisyloxy-pentan-1-ol

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

(2S,4R)-2,4-dimethyl-5-p-anisyloxy-pentan-1-ol
SpectraBase Compound ID 5SaaLWGJriF
InChI InChI=1S/C15H24O3/c1-12(9-16)8-13(2)10-18-11-14-4-6-15(17-3)7-5-14/h4-7,12-13,16H,8-11H2,1-3H3/t12-,13+/m0/s1
InChIKey KCNRHEOLGRNFNE-QWHCGFSZSA-N
Mol Weight 252.35 g/mol
Molecular Formula C15H24O3
Exact Mass 252.172545 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 18VeEpLpWqa
Name (2S,4R)-2,4-Dimethyl-5-p-anisyloxy-pentan-1-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.172544630 u
Formula C15H24O3
InChI InChI=1S/C15H24O3/c1-12(9-16)8-13(2)10-18-11-14-4-6-15(17-3)7-5-14/h4-7,12-13,16H,8-11H2,1-3H3/t12-,13+/m0/s1
InChIKey KCNRHEOLGRNFNE-QWHCGFSZSA-N
Molecular Weight 252.354 g/mol
SMILES C1(=CC=C(C=C1)COC[C@@](C[C@@](CO)(C)[H])(C)[H])OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970081