SpectraBase Spectrum ID |
323w14J2pFY |
Name |
5ah-1,3-Dioxolo[3,4]furo[2,3-B]benzofuran, 3A,4-dihydro-8-methoxy-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 |
370.141638422 u |
Formula |
C21H22O6 |
InChI |
InChI=1S/C21H22O6/c1-20(2)26-17-12-24-19-21(17,27-20)18-15(9-14(22-3)10-16(18)25-19)23-11-13-7-5-4-6-8-13/h4-10,17,19H,11-12H2,1-3H3 |
InChIKey |
GYHHBLPWRMPAEZ-UHFFFAOYSA-N |
Molecular Weight |
370.401 g/mol |
SMILES |
C123C=4C(=CC(=CC4OCC4=CC=CC=C4)OC)OC2OCC3OC(O1)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845751 |