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Dichloroacetic acid, 4-tridecyl ester

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Dichloroacetic acid, 4-tridecyl ester
SpectraBase Compound ID 1h7FcBwlxIu
InChI InChI=1S/C15H28Cl2O2/c1-3-5-6-7-8-9-10-12-13(11-4-2)19-15(18)14(16)17/h13-14H,3-12H2,1-2H3
InChIKey VJOFGPFGFSSTJI-UHFFFAOYSA-N
Mol Weight 311.29 g/mol
Molecular Formula C15H28Cl2O2
Exact Mass 310.146636 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1REUfJgkv2R
Name Dichloroacetic acid, 4-tridecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.146635540 u
Formula C15H28Cl2O2
InChI InChI=1S/C15H28Cl2O2/c1-3-5-6-7-8-9-10-12-13(11-4-2)19-15(18)14(16)17/h13-14H,3-12H2,1-2H3
InChIKey VJOFGPFGFSSTJI-UHFFFAOYSA-N
Molecular Weight 311.293 g/mol
SMILES CCCC(OC(=O)C(Cl)Cl)CCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937096