| SpectraBase Spectrum ID |
BLHQm6fgG2V |
| Name |
Methyl 5-bromo-2-hydroxy-3-iodobenzoate, methyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
369.870152115 u |
| Formula |
C9H8BrIO3 |
| InChI |
InChI=1S/C9H8BrIO3/c1-13-8-6(9(12)14-2)3-5(10)4-7(8)11/h3-4H,1-2H3 |
| InChIKey |
QTHJSPLRNXOZPV-UHFFFAOYSA-N |
| Molecular Weight |
370.968 g/mol |
| SMILES |
C(C1=C(C(=CC(=C1)Br)I)OC)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947839 |
