| SpectraBase Spectrum ID |
Iz3hiMcdXvB |
| Name |
Methyl 3-bromo-5-chloro-2-hydroxybenzoate, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
305.929449434 u |
| Formula |
C10H8BrClO4 |
| InChI |
InChI=1S/C10H8BrClO4/c1-5(13)16-9-7(10(14)15-2)3-6(12)4-8(9)11/h3-4H,1-2H3 |
| InChIKey |
SAUCJPDINNPFBQ-UHFFFAOYSA-N |
| Molecular Weight |
307.527 g/mol |
| SMILES |
C1(Br)=C(C(=CC(=C1)Cl)C(=O)OC)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935653 |
