| SpectraBase Spectrum ID |
1eZPVRtddpr |
| Name |
1,2-Benzenedicarboxylic acid, 3-(2,6-dibromo-4-methylphenoxy)-6-hydroxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
443.884414036 u |
| Formula |
C15H10Br2O6 |
| InChI |
InChI=1S/C15H10Br2O6/c1-6-4-7(16)13(8(17)5-6)23-10-3-2-9(18)11(14(19)20)12(10)15(21)22/h2-5,18H,1H3,(H,19,20)(H,21,22) |
| InChIKey |
IJBCYMGEFYILBU-UHFFFAOYSA-N |
| Molecular Weight |
446.047 g/mol |
| SMILES |
C=1(C(C(=O)O)=C(O)C=CC1OC=1C(=CC(=CC1Br)C)Br)C(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927069 |
