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3-Bromo-3-methylbutyl 2,2,2-trichloroacetate
SpectraBase Compound ID 3tyYNHQujZV
InChI InChI=1S/C7H10BrCl3O2/c1-6(2,8)3-4-13-5(12)7(9,10)11/h3-4H2,1-2H3
InChIKey PBUQZYHLXADKBK-UHFFFAOYSA-N
Mol Weight 312.42 g/mol
Molecular Formula C7H10BrCl3O2
Exact Mass 309.892976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4RrjErqqT8z
Name 3-Bromo-3-methylbutyl 2,2,2-trichloroacetate
Appearance Colorless oil
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Formula C7H10BrCl3O2
InChI InChI=1S/C7H10BrCl3O2/c1-6(2,8)3-4-13-5(12)7(9,10)11/h3-4H2,1-2H3
InChIKey PBUQZYHLXADKBK-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201708197
Molecular Weight 312.418 g/mol
Quality 233
Reported Formula C7H10Cl3O2Br
SMILES C(CCOC(C(Cl)(Cl)Cl)=O)(Br)(C)C
SPLASH splash10-014i-9100000000-5e7d1cbfd4d8b12e38f8
Source of Spectrum ACI-56-SM14-5d (DOI: 10.1002/anie.201708197)
Wiley ID 1896564