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Neopentyl dichloroacetate
SpectraBase Compound ID 2ud9ie7ccaO
InChI InChI=1S/C7H12Cl2O2/c1-7(2,3)4-11-6(10)5(8)9/h5H,4H2,1-3H3
InChIKey DVTUWRNRCKMPPD-UHFFFAOYSA-N
Mol Weight 199.08 g/mol
Molecular Formula C7H12Cl2O2
Exact Mass 198.021435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3hTYWtuAFMl
Name Neopentyl dichloroacetate
Alternate Name(s) Dichloroacetic acid, 2,2-dimethylpropyl ester 2,2-Dichloroacetic acid 2,2-dimethylpropyl ester 2,2-Dimethylpropyl 2,2-dichloroacetate 2,2-Dimethylpropyl 2,2-bis(chloranyl)ethanoate
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Formula C7H12Cl2O2
InChI InChI=1S/C7H12Cl2O2/c1-7(2,3)4-11-6(10)5(8)9/h5H,4H2,1-3H3
InChIKey DVTUWRNRCKMPPD-UHFFFAOYSA-N
Molecular Weight 199.077 g/mol
SMILES C(C(=O)OCC(C)(C)C)(Cl)Cl
SPLASH splash10-0a4i-9000000000-43f6e0fcda4b8f04f93d
Source of Spectrum NP-3-9567-0
Wiley ID 1103390