SpectraBase Compound ID | Ef6EpRkUpGT |
---|---|
InChI | InChI=1S/C10H10Cl2O4/c1-4-5(10(13)14)8(15-2)7(12)9(16-3)6(4)11/h1-3H3,(H,13,14) |
InChIKey | NCNAWGKIZMCDDG-UHFFFAOYSA-N |
Mol Weight | 265.09 g/mol |
Molecular Formula | C10H10Cl2O4 |
Exact Mass | 263.995614 g/mol |
SpectraBase Spectrum ID | EmXXpw6gDhC |
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Name | 3,5-Dichloro-2,4-dimethoxy-6-methylbenzoic acid |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 263.995614198 u |
Formula | C10H10Cl2O4 |
InChI | InChI=1S/C10H10Cl2O4/c1-4-5(10(13)14)8(15-2)7(12)9(16-3)6(4)11/h1-3H3,(H,13,14) |
InChIKey | NCNAWGKIZMCDDG-UHFFFAOYSA-N |
SMILES | C=1(C(=C(Cl)C(=C(C1C)Cl)OC)OC)C(=O)O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.891948 |