| SpectraBase Spectrum ID |
DqILeNH9MaG |
| Name |
6,8-Dimethoxy-3-methyl-1-benzoxepin-5(2H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.089208927 u |
| Formula |
C13H14O4 |
| InChI |
InChI=1S/C13H14O4/c1-8-4-10(14)13-11(16-3)5-9(15-2)6-12(13)17-7-8/h4-6H,7H2,1-3H3 |
| InChIKey |
UZDCRBQWWDMSNA-UHFFFAOYSA-N |
| Molecular Weight |
234.251 g/mol |
| SMILES |
C=12C(C=C(C)COC2=CC(=CC1OC)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889883 |
