| SpectraBase Spectrum ID |
LwTe3v37rpQ |
| Name |
Methyl 3-bromo-4-(bromomethyl)-2,6-dimethoxybenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
365.910234862 u |
| Formula |
C11H12Br2O4 |
| InChI |
InChI=1S/C11H12Br2O4/c1-15-7-4-6(5-12)9(13)10(16-2)8(7)11(14)17-3/h4H,5H2,1-3H3 |
| InChIKey |
ASUVOCNPMRGQLG-UHFFFAOYSA-N |
| Molecular Weight |
368.021 g/mol |
| SMILES |
C=1(C(=C(Br)C(=CC1OC)CBr)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892007 |
