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Methyl 4,4,4-trichloro-2-methylbutanoate
SpectraBase Compound ID 3zQ2yH3lgwd
InChI InChI=1S/C6H9Cl3O2/c1-4(5(10)11-2)3-6(7,8)9/h4H,3H2,1-2H3
InChIKey OVRCUXGUFNYSTQ-UHFFFAOYSA-N
Mol Weight 219.49 g/mol
Molecular Formula C6H9Cl3O2
Exact Mass 217.966813 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bt6AxmZ2mj3
Name Methyl 4,4,4-trichloro-2-methylbutanoate
CAS Registry Number 20101-83-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H9Cl3O2
InChI InChI=1S/C6H9Cl3O2/c1-4(5(10)11-2)3-6(7,8)9/h4H,3H2,1-2H3
InChIKey OVRCUXGUFNYSTQ-UHFFFAOYSA-N
Molecular Weight 219.495 g/mol
SMILES C(C(C(OC)=O)C)C(Cl)(Cl)Cl
SPLASH splash10-07ii-7900000000-9352e49af4a5cc533e06
Source of Spectrum AD-0-2532-0
Synonyms 4,4,4-trichloro-2-methyl-butyric acid methyl ester 4,4,4-trichloro-2-methylbutanoic acid methyl ester Butanoic acid, 4,4,4,-trichloro-2-methyl-, methyl ester Methyl 4,4,4-tris(chloranyl)-2-methyl-butanoate
Wiley ID 1427251