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 |