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dichloroacetic acid, sec-butyl ester
SpectraBase Compound ID ChSzdntkSqP
InChI InChI=1S/C6H10Cl2O2/c1-3-4(2)10-6(9)5(7)8/h4-5H,3H2,1-2H3
InChIKey IQYVZHJFEAIITM-UHFFFAOYSA-N
Mol Weight 185.05 g/mol
Molecular Formula C6H10Cl2O2
Exact Mass 184.005785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BBnGsjR3A4A
Name Sec-butyl dichloroacetate
CAS Registry Number 62223-12-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H10Cl2O2
InChI InChI=1S/C6H10Cl2O2/c1-3-4(2)10-6(9)5(7)8/h4-5H,3H2,1-2H3
InChIKey IQYVZHJFEAIITM-UHFFFAOYSA-N
Molecular Weight 185.050 g/mol
SMILES C(Cl)(C(=O)OC(CC)C)Cl
SPLASH splash10-0a6r-9200000000-e1271b1007c0ad001d05
Source of Spectrum NP-3-1724-0
Synonyms Dichloroacetic acid, 2-butyl ester 2,2-Dichloroacetic acid butan-2-yl ester Butan-2-yl 2,2-dichloroacetate sec-butyl 2,2-dichloroacetate Butan-2-yl 2,2-bis(chloranyl)ethanoate
Wiley ID 1102244