SpectraBase Compound ID | BCGTyPJY8QX |
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InChI | InChI=1S/C13H16Cl2O2/c14-9-5-1-2-6-10-17-13(16)11-7-3-4-8-12(11)15/h3-4,7-8H,1-2,5-6,9-10H2 |
InChIKey | NPNCUNARNMASJO-UHFFFAOYSA-N |
Mol Weight | 275.18 g/mol |
Molecular Formula | C13H16Cl2O2 |
Exact Mass | 274.052735 g/mol |
SpectraBase Spectrum ID | EfXX6OlgXgH |
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Name | 2-Chlorobenzoic acid, 6-chlorohexyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 274.052735153 u |
Formula | C13H16Cl2O2 |
InChI | InChI=1S/C13H16Cl2O2/c14-9-5-1-2-6-10-17-13(16)11-7-3-4-8-12(11)15/h3-4,7-8H,1-2,5-6,9-10H2 |
InChIKey | NPNCUNARNMASJO-UHFFFAOYSA-N |
SMILES | C(C1=C(C=CC=C1)Cl)(OCCCCCCCl)=O |