| SpectraBase Spectrum ID |
35sDzguZ16N |
| Name |
1-(4-Bromo-6,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
438.031415945 u |
| Formula |
C19H19BrO7 |
| InChI |
InChI=1S/C19H19BrO7/c1-22-12-6-5-10(8-13(12)23-2)7-11(21)14-15(20)17-19(27-9-26-17)18(25-4)16(14)24-3/h5-6,8H,7,9H2,1-4H3 |
| InChIKey |
UUKJKHFPAOCIJK-UHFFFAOYSA-N |
| Molecular Weight |
439.258 g/mol |
| SMILES |
C(CC1=CC=C(OC)C(OC)=C1)(=O)C1=C(C(=C2C(=C1Br)OCO2)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975994 |
