| SpectraBase Spectrum ID |
GiNk18Ryr0D |
| Name |
Methyl-2-(6-bromo-3,4-dihydroxyphenyl)-acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
259.968421766 u |
| Formula |
C9H9BrO4 |
| InChI |
InChI=1S/C9H9BrO4/c1-14-9(13)3-5-2-7(11)8(12)4-6(5)10/h2,4,11-12H,3H2,1H3 |
| InChIKey |
OHSQNDQTFXPYER-UHFFFAOYSA-N |
| Molecular Weight |
261.071 g/mol |
| SMILES |
COC(=O)CC1=CC(O)=C(O)C=C1Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87182 |
