SpectraBase Compound ID | 68chiP1WefX |
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InChI | InChI=1S/C10H9Cl2NO3/c1-16-10(15)6-4-2-3-5-7(6)13-9(14)8(11)12/h2-5,8H,1H3,(H,13,14) |
InChIKey | FQTDUIHZSPAZGM-UHFFFAOYSA-N |
Mol Weight | 262.09 g/mol |
Molecular Formula | C10H9Cl2NO3 |
Exact Mass | 260.995949 g/mol |
SpectraBase Spectrum ID | 6QsWOxu09DP |
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Name | N-(Dichloroacetyl)anthranilic acid, methyl ester |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 260.995948551 u |
Formula | C10H9Cl2NO3 |
InChI | InChI=1S/C10H9Cl2NO3/c1-16-10(15)6-4-2-3-5-7(6)13-9(14)8(11)12/h2-5,8H,1H3,(H,13,14) |
InChIKey | FQTDUIHZSPAZGM-UHFFFAOYSA-N |
SMILES | N(C1=CC=CC=C1C(=O)OC)C(C(Cl)Cl)=O |
Spectrum/Structure Validation Score (Raman) | 0.773294 |