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Trichloroacetic acid, 2-methyloct-5-yn-4-yl ester
SpectraBase Compound ID Hfq5aPjUx4B
InChI InChI=1S/C11H15Cl3O2/c1-4-5-6-9(7-8(2)3)16-10(15)11(12,13)14/h8-9H,4,7H2,1-3H3
InChIKey BFHVFJFRDWWLLF-UHFFFAOYSA-N
Mol Weight 285.6 g/mol
Molecular Formula C11H15Cl3O2
Exact Mass 284.013763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2AG6CW8th4G
Name Trichloroacetic acid, 2-methyloct-5-yn-4-yl ester
Alternate Name(s) 2,2,2-trichloroacetic acid 2-methyloct-5-yn-4-yl ester 2-Methyloct-5-yn-4-yl 2,2,2-trichloroacetate 1-isobutylpent-2-ynyl 2,2,2-trichloroacetate 2-Methyloct-5-yn-4-yl 2,2,2-tris(chloranyl)ethanoate
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Formula C11H15Cl3O2
InChI InChI=1S/C11H15Cl3O2/c1-4-5-6-9(7-8(2)3)16-10(15)11(12,13)14/h8-9H,4,7H2,1-3H3
InChIKey BFHVFJFRDWWLLF-UHFFFAOYSA-N
Molecular Weight 285.598 g/mol
SMILES C(=O)(OC(C#CCC)CC(C)C)C(Cl)(Cl)Cl
SPLASH splash10-0536-9100000000-0cef48498220f7edddde
Source of Spectrum NP-9-1310-0
Wiley ID 1107881