| SpectraBase Spectrum ID |
509oEO6fMdG |
| Name |
8,9,10-Trimethoxy-12-(methoxymethyl)-1,3,4,6-tetrahydrobenzo[5,6]oxepino[3,4-E]isobenzofuran |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.157288487 u |
| Formula |
C21H24O6 |
| InChI |
InChI=1S/C21H24O6/c1-22-7-12-5-14-16(17-11-27-9-15(12)17)10-26-8-13-6-18(23-2)20(24-3)21(25-4)19(13)14/h5-6H,7-11H2,1-4H3 |
| InChIKey |
PUFXFENFSNTQSP-UHFFFAOYSA-N |
| Molecular Weight |
372.417 g/mol |
| SMILES |
C=1C(=C(OC)C(=C2C3=C(COCC12)C1=C(C(=C3)COC)COC1)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885693 |
![8,9,10-Trimethoxy-12-(methoxymethyl)-1,3,4,6-tetrahydrobenzo[5,6]oxepino[3,4-E]isobenzofuran](/api/spectrum/509oEO6fMdG/structure.png?h=300&w=458 "8,9,10-Trimethoxy-12-(methoxymethyl)-1,3,4,6-tetrahydrobenzo[5,6]oxepino[3,4-E]isobenzofuran")
