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Dichloroacetic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester
SpectraBase Compound ID 5VAue8wfLAO
InChI InChI=1S/C13H18Cl2O2/c1-5-6-10(4)11(8-7-9(2)3)17-13(16)12(14)15/h10-12H,2,5-6H2,1,3-4H3
InChIKey WQHIJAZVGMYLTQ-UHFFFAOYSA-N
Mol Weight 277.19 g/mol
Molecular Formula C13H18Cl2O2
Exact Mass 276.068385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GtC4tdqQdmo
Name Dichloroacetic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18Cl2O2
InChI InChI=1S/C13H18Cl2O2/c1-5-6-10(4)11(8-7-9(2)3)17-13(16)12(14)15/h10-12H,2,5-6H2,1,3-4H3
InChIKey WQHIJAZVGMYLTQ-UHFFFAOYSA-N
Molecular Weight 277.191 g/mol
SMILES C(C(=O)OC(C(CCC)C)C#CC(=C)C)(Cl)Cl
SPLASH splash10-006x-9500000000-5581da22dafee7872e37
Source of Spectrum NP-8-6712-0
Synonyms 2,2-Dichloroacetic acid 2,6-dimethylnon-1-en-3-yn-5-yl ester 2,6-Dimethylnon-1-en-3-yn-5-yl 2,2-dichloroacetate [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] 2,2-dichloroacetate 2,6-Dimethylnon-1-en-3-yn-5-yl 2,2-bis(chloranyl)ethanoate
Wiley ID 1107519