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5aH-1,3-Dioxolo[3,4]furo[2,3-b]benzofuran-8-ol, 3a,4-dihydro-2,2-dimethyl-10-(phenylmethoxy)-, (3a.alpha.,5a.beta.,10bS*)-(.+-.)-
SpectraBase Compound ID 8CO1WfQYaIV
InChI InChI=1S/C20H20O6/c1-19(2)25-16-11-23-18-20(16,26-19)17-14(8-13(21)9-15(17)24-18)22-10-12-6-4-3-5-7-12/h3-9,16,18,21H,10-11H2,1-2H3
InChIKey GYLUVZVVTHZIJB-UHFFFAOYSA-N
Mol Weight 356.37 g/mol
Molecular Formula C20H20O6
Exact Mass 356.125988 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3OjKeAUfNfX
Name 5ah-1,3-Dioxolo[3,4]furo[2,3-B]benzofuran-8-ol, 3A,4-dihydro-2,2-dimethyl-10-(phenylmethoxy)-, (3A.alpha.,5A.beta.,10BS*)-(.+-.)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.125988358 u
Formula C20H20O6
InChI InChI=1S/C20H20O6/c1-19(2)25-16-11-23-18-20(16,26-19)17-14(8-13(21)9-15(17)24-18)22-10-12-6-4-3-5-7-12/h3-9,16,18,21H,10-11H2,1-2H3
InChIKey GYLUVZVVTHZIJB-UHFFFAOYSA-N
Molecular Weight 356.374 g/mol
SMILES C123C=4C(=CC(=CC4OCC=4C=CC=CC4)O)OC2OCC3OC(O1)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.85922