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3,3-dichloropropionic acid, methyl ester
SpectraBase Compound ID AztCVqoybc0
InChI InChI=1S/C4H6Cl2O2/c1-8-4(7)2-3(5)6/h3H,2H2,1H3
InChIKey WGVLOKHINHKFDO-UHFFFAOYSA-N
Mol Weight 157.0 g/mol
Molecular Formula C4H6Cl2O2
Exact Mass 155.974485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2R0xVIfwyyz
Name Methyl 3,3-dichloropropanoate
Alternate Name(s) 3,3-Dichloropropanoic acid methyl ester 3,3-Dichloropropionic acid methyl ester Methyl 3,3-bis(chloranyl)propanoate Propanoic acid, 3,3-dichloro-, methyl ester
CAS Registry Number 817-77-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H6Cl2O2
InChI InChI=1S/C4H6Cl2O2/c1-8-4(7)2-3(5)6/h3H,2H2,1H3
InChIKey WGVLOKHINHKFDO-UHFFFAOYSA-N
Molecular Weight 156.996 g/mol
SMILES C(CC(=O)OC)(Cl)Cl
SPLASH splash10-0c29-9800000000-08c8af6ab3adf478cb73
Source of Spectrum W5-1989-11848-1
Wiley ID 1153060