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5-Chloro-2,4-dimethylpentanoic acid, methyl ester

View entire compound with spectra: 2 MS (GC)

5-Chloro-2,4-dimethylpentanoic acid, methyl ester
SpectraBase Compound ID 1WknqBcQE0h
InChI InChI=1S/C8H15ClO2/c1-6(5-9)4-7(2)8(10)11-3/h6-7H,4-5H2,1-3H3
InChIKey NADJOIDRRGGQLB-UHFFFAOYSA-N
Mol Weight 178.66 g/mol
Molecular Formula C8H15ClO2
Exact Mass 178.076057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B42spVA7M1Y
Name 5-Chloro-2,4-dimethylpentanoic acid, methyl ester
Alternate Name(s) 5-Chloro-2,4-dimethyl-valeric acid methyl ester Methyl 5-chloranyl-2,4-dimethyl-pentanoate Methyl 5-chloro-2,4-dimethyl-pentanoate 5-Chloro-2,4-dimethylpentanoic acid methyl ester
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Formula C8H15ClO2
InChI InChI=1S/C8H15ClO2/c1-6(5-9)4-7(2)8(10)11-3/h6-7H,4-5H2,1-3H3
InChIKey NADJOIDRRGGQLB-UHFFFAOYSA-N
Molecular Weight 178.659 g/mol
SMILES CC(CCl)CC(C)C(=O)OC
SPLASH splash10-0kai-9200000000-2b0d63955b2be10ccbcd
Wiley ID 1483939