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(2S)-7,8,3',4',5'-Pentamethoxyflavan

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

(2S)-7,8,3',4',5'-Pentamethoxyflavan
SpectraBase Compound ID FNKjbGRc7jZ
InChI InChI=1S/C20H24O6/c1-21-15-9-7-12-6-8-14(26-18(12)20(15)25-5)13-10-16(22-2)19(24-4)17(11-13)23-3/h7,9-11,14H,6,8H2,1-5H3/t14-/m0/s1
InChIKey PAGHIDUEYGMXRM-AWEZNQCLSA-N
Mol Weight 360.41 g/mol
Molecular Formula C20H24O6
Exact Mass 360.157288 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5Urvx4Ac06d
Name (2S)-7,8,3',4',5'-Pentamethoxyflavan
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.157288487 u
Formula C20H24O6
InChI InChI=1S/C20H24O6/c1-21-15-9-7-12-6-8-14(26-18(12)20(15)25-5)13-10-16(22-2)19(24-4)17(11-13)23-3/h7,9-11,14H,6,8H2,1-5H3/t14-/m0/s1
InChIKey PAGHIDUEYGMXRM-AWEZNQCLSA-N
Molecular Weight 360.406 g/mol
SMILES C1=2O[C@@](CCC1=CC=C(C2OC)OC)(C1=CC(=C(C(=C1)OC)OC)OC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93359