| SpectraBase Spectrum ID |
JYSI8P5hzz9 |
| Name |
8,9,10-Trimethoxy-6-methyl-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 |
342.146723803 u |
| Formula |
C20H22O5 |
| InChI |
InChI=1S/C20H22O5/c1-11-14-7-17(21-2)19(22-3)20(23-4)18(14)13-6-5-12-8-24-9-15(12)16(13)10-25-11/h5-7,11H,8-10H2,1-4H3 |
| InChIKey |
BIEXTDIIVJJTPN-UHFFFAOYSA-N |
| Molecular Weight |
342.391 g/mol |
| SMILES |
C1=C2C(OCC3=C(C2=C(C(=C1OC)OC)OC)C=CC1=C3COC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892113 |
![8,9,10-Trimethoxy-6-methyl-1,3,4,6-tetrahydrobenzo[5,6]oxepino[3,4-E]isobenzofuran](/api/spectrum/JYSI8P5hzz9/structure.png?h=300&w=458 "8,9,10-Trimethoxy-6-methyl-1,3,4,6-tetrahydrobenzo[5,6]oxepino[3,4-E]isobenzofuran")
