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Dichloroacetic acid, heptadecyl ester

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Dichloroacetic acid, heptadecyl ester
SpectraBase Compound ID IBYCsc7RCkJ
InChI InChI=1S/C19H36Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-19(22)18(20)21/h18H,2-17H2,1H3
InChIKey YSPASYBIZCABDF-UHFFFAOYSA-N
Mol Weight 367.4 g/mol
Molecular Formula C19H36Cl2O2
Exact Mass 366.209236 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AjPX6Z1hA4Y
Name Dichloroacetic acid, heptadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.209235797 u
Formula C19H36Cl2O2
InChI InChI=1S/C19H36Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-19(22)18(20)21/h18H,2-17H2,1H3
InChIKey YSPASYBIZCABDF-UHFFFAOYSA-N
Molecular Weight 367.401 g/mol
SMILES C(CCCCCCCCCCCC)CCCCOC(C(Cl)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94944