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1-Methylbutyl dichloroacetate
SpectraBase Compound ID 17eNJHRTyhz
InChI InChI=1S/C7H12Cl2O2/c1-3-4-5(2)11-7(10)6(8)9/h5-6H,3-4H2,1-2H3
InChIKey BSBLGRPLLFXELO-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 Dh96YMuw8w4
Name 1-Methylbutyl dichloroacetate
CAS Registry Number 90380-55-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12Cl2O2
InChI InChI=1S/C7H12Cl2O2/c1-3-4-5(2)11-7(10)6(8)9/h5-6H,3-4H2,1-2H3
InChIKey BSBLGRPLLFXELO-UHFFFAOYSA-N
Molecular Weight 199.077 g/mol
SMILES C(C(=O)OC(CCC)C)(Cl)Cl
SPLASH splash10-0596-9100000000-12e807ffdefea2838883
Source of Spectrum NP-3-9570-0
Synonyms Dichloroacetic acid, 2-pentyl ester 2,2-Dichloroacetic acid pentan-2-yl ester Pentan-2-yl 2,2-dichloroacetate 1-Methylbutyl 2,2-dichloroacetate Pentan-2-yl 2,2-bis(chloranyl)ethanoate
Wiley ID 1103391