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dichloroacetic acid, propyl ester
SpectraBase Compound ID 7dHv1VZbmpL
InChI InChI=1S/C5H8Cl2O2/c1-2-3-9-5(8)4(6)7/h4H,2-3H2,1H3
InChIKey AHRFMMRLDGAHBM-UHFFFAOYSA-N
Mol Weight 171.02 g/mol
Molecular Formula C5H8Cl2O2
Exact Mass 169.990135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ApoqZ9OecfB
Name Propyl dichloroacetate
CAS Registry Number 37587-81-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H8Cl2O2
InChI InChI=1S/C5H8Cl2O2/c1-2-3-9-5(8)4(6)7/h4H,2-3H2,1H3
InChIKey AHRFMMRLDGAHBM-UHFFFAOYSA-N
Molecular Weight 171.023 g/mol
SMILES C(Cl)(Cl)C(=O)OCCC
SPLASH splash10-0006-9000000000-ea2611f0765368160238
Source of Spectrum NP-2-4289-0
Synonyms Acetic acid, dichloro-, propyl ester Dichloroacetic acid, propyl ester Propyl 2,2-dichloroacetate Propyl 2,2-bis(chloranyl)ethanoate
Wiley ID 1100971