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9-Dodecynyl trichloroacetate

View entire compound with spectra: 1 MS (GC)

9-Dodecynyl trichloroacetate
SpectraBase Compound ID HQQBD39xJLh
InChI InChI=1S/C14H21Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-13(18)14(15,16)17/h2,5-12H2,1H3
InChIKey APCSTNKINXDOLQ-UHFFFAOYSA-N
Mol Weight 327.68 g/mol
Molecular Formula C14H21Cl3O2
Exact Mass 326.060713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LkAXEfhsySU
Name 9-Dodecynyl trichloroacetate
Alternate Name(s) Trichloroacetic acid, dodec-9-ynyl ester Dodec-9-ynyl 2,2,2-trichloroacetate Dodec-9-ynyl 2,2,2-tris(chloranyl)ethanoate
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Formula C14H21Cl3O2
InChI InChI=1S/C14H21Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-13(18)14(15,16)17/h2,5-12H2,1H3
InChIKey APCSTNKINXDOLQ-UHFFFAOYSA-N
Molecular Weight 327.679 g/mol
SMILES C(CCCC#CCC)CCCCOC(C(Cl)(Cl)Cl)=O
SPLASH splash10-014i-9100000000-9ef44c53dc33d54f6f2d
Source of Spectrum NP-11-5091-0
Wiley ID 1109659