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(3S,4S)-3,4-bis[(3,4-dimethoxyphenyl)methyl]-3-oxolanol

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

(3S,4S)-3,4-bis[(3,4-dimethoxyphenyl)methyl]-3-oxolanol
SpectraBase Compound ID 2gdoBoEo6q0
InChI InChI=1S/C22H28O6/c1-24-18-7-5-15(10-20(18)26-3)9-17-13-28-14-22(17,23)12-16-6-8-19(25-2)21(11-16)27-4/h5-8,10-11,17,23H,9,12-14H2,1-4H3/t17-,22-/m0/s1
InChIKey NXQFESLOYKKTNS-JTSKRJEESA-N
Mol Weight 388.46 g/mol
Molecular Formula C22H28O6
Exact Mass 388.188589 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ltxgbu0b4wV
Name (3S,4S)-3,4-bis[(3,4-Dimethoxyphenyl)methyl]-3-oxolanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.188588616 u
Formula C22H28O6
InChI InChI=1S/C22H28O6/c1-24-18-7-5-15(10-20(18)26-3)9-17-13-28-14-22(17,23)12-16-6-8-19(25-2)21(11-16)27-4/h5-8,10-11,17,23H,9,12-14H2,1-4H3/t17-,22-/m0/s1
InChIKey NXQFESLOYKKTNS-JTSKRJEESA-N
Molecular Weight 388.460 g/mol
SMILES [C@]1([C@@](CC2=CC(OC)=C(C=C2)OC)(COC1)[H])(CC1=CC(OC)=C(C=C1)OC)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.899019