| SpectraBase Spectrum ID |
9dBDtPPc0L9 |
| Name |
Ethanone, 1-(6-bromo-1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.020851261 u |
| Formula |
C18H17BrO6 |
| InChI |
InChI=1S/C18H17BrO6/c1-21-16-5-10(6-17(22-2)18(16)23-3)4-13(20)11-7-14-15(8-12(11)19)25-9-24-14/h5-8H,4,9H2,1-3H3 |
| InChIKey |
ASLYBSWVSPFXJL-UHFFFAOYSA-N |
| Molecular Weight |
409.232 g/mol |
| SMILES |
C=1(C(CC=2C=C(OC)C(=C(C2)OC)OC)=O)C(=CC2=C(C1)OCO2)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958237 |
