| SpectraBase Spectrum ID |
8gByp14GBVE |
| Name |
6-Bromo-4,5,7-trimethoxy-2,2-dimethyl-2,3-dihydrobenzofuran-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.010286578 u |
| Formula |
C13H15BrO5 |
| InChI |
InChI=1S/C13H15BrO5/c1-13(2)12(15)6-8(16-3)10(17-4)7(14)11(18-5)9(6)19-13/h1-5H3 |
| InChIKey |
BEXHCRDVYOJBSY-UHFFFAOYSA-N |
| Molecular Weight |
331.162 g/mol |
| SMILES |
C=12OC(C(C2=C(C(=C(C1OC)Br)OC)OC)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883459 |
