| SpectraBase Spectrum ID |
Kes7tQW1xLE |
| Name |
5-Bromo-4,7-dimethoxy-6-(prop-1-yn-1-yl)-2H-1,3-benzodioxole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
297.984071830 u |
| Formula |
C12H11BrO4 |
| InChI |
InChI=1S/C12H11BrO4/c1-4-5-7-8(13)10(15-3)12-11(9(7)14-2)16-6-17-12/h6H2,1-3H3 |
| InChIKey |
JXVFEWMBLOJQCU-UHFFFAOYSA-N |
| Molecular Weight |
299.120 g/mol |
| SMILES |
C1(=C2C(=C(C(=C1Br)C#CC)OC)OCO2)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.835764 |
