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3,3,3-trichloropropionic acid, methyl ester
SpectraBase Compound ID 5p4zAQ9euiH
InChI InChI=1S/C4H5Cl3O2/c1-9-3(8)2-4(5,6)7/h2H2,1H3
InChIKey FBMIRDYZKMXRFO-UHFFFAOYSA-N
Mol Weight 191.44 g/mol
Molecular Formula C4H5Cl3O2
Exact Mass 189.935512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJ1c1mofvRA
Name Propanoic acid, 3,3,3-trichloro-, methyl ester
Alternate Name(s) 3,3,3-trichloropropanoic acid methyl ester 3,3,3-trichloropropionic acid methyl ester Methyl 3,3,3-trichloropropanoate Methyl 3,3,3-tris(chloranyl)propanoate
CAS Registry Number 20618-02-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H5Cl3O2
InChI InChI=1S/C4H5Cl3O2/c1-9-3(8)2-4(5,6)7/h2H2,1H3
InChIKey FBMIRDYZKMXRFO-UHFFFAOYSA-N
Molecular Weight 191.441 g/mol
SMILES COC(=O)CC(Cl)(Cl)Cl
SPLASH splash10-0a4i-0900000000-6db7fcb43bb7d2d9636b
Source of Spectrum J-53-4723-5
Wiley ID 1185980