SpectraBase Compound ID | 1Gw7J0rxv33 |
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InChI | InChI=1S/C16H30Cl2O2/c1-3-5-6-7-8-9-10-11-13-14(12-4-2)20-16(19)15(17)18/h14-15H,3-13H2,1-2H3 |
InChIKey | QBAHIMDTVPQCSA-UHFFFAOYSA-N |
Mol Weight | 325.32 g/mol |
Molecular Formula | C16H30Cl2O2 |
Exact Mass | 324.162286 g/mol |
SpectraBase Spectrum ID | 655Kxi8SYr3 |
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Name | Dichloroacetic acid, 4-tetradecyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 324.162285604 u |
Formula | C16H30Cl2O2 |
InChI | InChI=1S/C16H30Cl2O2/c1-3-5-6-7-8-9-10-11-13-14(12-4-2)20-16(19)15(17)18/h14-15H,3-13H2,1-2H3 |
InChIKey | QBAHIMDTVPQCSA-UHFFFAOYSA-N |
Molecular Weight | 325.320 g/mol |
SMILES | CCCC(OC(=O)C(Cl)Cl)CCCCCCCCCC |