| SpectraBase Spectrum ID |
8tFF7BIolyZ |
| Name |
2,4-Dibromo-3,5-dimethoxybenzoic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.894584798 u |
| Formula |
C10H10Br2O4 |
| InChI |
InChI=1S/C10H10Br2O4/c1-14-6-4-5(10(13)16-3)7(11)9(15-2)8(6)12/h4H,1-3H3 |
| InChIKey |
PASLBYZEGLZZIN-UHFFFAOYSA-N |
| Molecular Weight |
353.994 g/mol |
| SMILES |
C=1C(=C(C(=C(C1OC)Br)OC)Br)C(OC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.847115 |
