| SpectraBase Spectrum ID |
1snAzfZcEVo |
| Name |
9-(3,4,5-Trimethoxyphenyl)-5A,6,8A,9-tetrahydro-[2]benzofuro[5,6-F][1,3]benzodioxole-5,8-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.115817596 u |
| Formula |
C22H20O8 |
| InChI |
InChI=1S/C22H20O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-19H,8-9H2,1-3H3 |
| InChIKey |
ISCQYPPCSYRZOT-UHFFFAOYSA-N |
| Molecular Weight |
412.394 g/mol |
| SMILES |
C12C(C(C3=CC(OC)=C(C(=C3)OC)OC)C3=C(C1=O)C=C1C(OCO1)=C3)C(=O)OC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858455 |
![9-(3,4,5-Trimethoxyphenyl)-5A,6,8A,9-tetrahydro-[2]benzofuro[5,6-F][1,3]benzodioxole-5,8-dione](/api/spectrum/1snAzfZcEVo/structure.png?h=300&w=458 "9-(3,4,5-Trimethoxyphenyl)-5A,6,8A,9-tetrahydro-[2]benzofuro[5,6-F][1,3]benzodioxole-5,8-dione")
