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Trichloroacetic acid, hex-4-yn-3-yl ester
SpectraBase Compound ID IHcnt5amXIy
InChI InChI=1S/C8H9Cl3O2/c1-3-5-6(4-2)13-7(12)8(9,10)11/h6H,4H2,1-2H3
InChIKey ALHKHMGMXWSIDK-UHFFFAOYSA-N
Mol Weight 243.52 g/mol
Molecular Formula C8H9Cl3O2
Exact Mass 241.966813 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 22WwcSavmS
Name Trichloroacetic acid, hex-4-yn-3-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9Cl3O2
InChI InChI=1S/C8H9Cl3O2/c1-3-5-6(4-2)13-7(12)8(9,10)11/h6H,4H2,1-2H3
InChIKey ALHKHMGMXWSIDK-UHFFFAOYSA-N
Molecular Weight 243.517 g/mol
SMILES C(C(OC(CC)C#CC)=O)(Cl)(Cl)Cl
SPLASH splash10-05q9-9210000000-a85b741337e9bc5c8d25
Source of Spectrum NP-6-5950-0
Synonyms 2,2,2-trichloroacetic acid hex-4-yn-3-yl ester Hex-4-yn-3-yl 2,2,2-trichloroacetate 1-Ethylbut-2-ynyl 2,2,2-trichloroacetate Hex-4-yn-3-yl 2,2,2-tris(chloranyl)ethanoate
Wiley ID 1105827