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Trichloroacetic acid, propyl ester
SpectraBase Compound ID EOWSilLYO2U
InChI InChI=1S/C5H7Cl3O2/c1-2-3-10-4(9)5(6,7)8/h2-3H2,1H3
InChIKey QWWBZHDIGCDTLY-UHFFFAOYSA-N
Mol Weight 205.47 g/mol
Molecular Formula C5H7Cl3O2
Exact Mass 203.951163 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EjSDXqLyhQ1
Name Acetic acid, trichloro-, propyl ester
CAS Registry Number 13313-91-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H7Cl3O2
InChI InChI=1S/C5H7Cl3O2/c1-2-3-10-4(9)5(6,7)8/h2-3H2,1H3
InChIKey QWWBZHDIGCDTLY-UHFFFAOYSA-N
Molecular Weight 205.468 g/mol
SMILES C(Cl)(C(=O)OCCC)(Cl)Cl
SPLASH splash10-0006-9000000000-411ae8d93e25c9350e7f
Source of Spectrum JC-366-96-29
Synonyms 2,2,2-trichloroacetic acid propyl ester n-Propyl trichloroacetate Propyl 2,2,2-trichloroacetate Propyl 2,2,2-tris(chloranyl)ethanoate Propyl trichloroacetate Trichloroacetic acid, propyl ester
Wiley ID 1201133