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(2S*,3S*,4R*,5S*)-3,5-Dimethyl-2-(4-methoxyphenyl)tetrahydrofuran-4-ol
SpectraBase Compound ID 5bsMAapS8PM
InChI InChI=1S/C13H18O3/c1-8-12(14)9(2)16-13(8)10-4-6-11(15-3)7-5-10/h4-9,12-14H,1-3H3/t8-,9-,12+,13-/m0/s1
InChIKey HTXOLGLMCILCJG-NGERZBJRSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F4PYSDyL1hP
Name (2S*,3S*,4R*,5S*)-3,5-Dimethyl-2-(4-methoxyphenyl)tetrahydrofuran-4-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.125594437 u
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-8-12(14)9(2)16-13(8)10-4-6-11(15-3)7-5-10/h4-9,12-14H,1-3H3/t8-,9-,12+,13-/m0/s1
InChIKey HTXOLGLMCILCJG-NGERZBJRSA-N
Molecular Weight 222.284 g/mol
SMILES [C@]1(O[C@]([C@@]([C@@]1(C)[H])(O)[H])(C)[H])(C=1C=CC(=CC1)OC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955479