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4-Bromo-3-(2-chloro-2,3,3,3-tetrafluoropropyl)-2-ethyl-1H-indole
SpectraBase Compound ID IsSWDGJuV7U
InChI InChI=1S/C13H11BrClF4N/c1-2-9-7(6-12(15,16)13(17,18)19)11-8(14)4-3-5-10(11)20-9/h3-5,20H,2,6H2,1H3
InChIKey HWTDWBKGQNBCLU-UHFFFAOYSA-N
Mol Weight 372.59 g/mol
Molecular Formula C13H11BrClF4N
Exact Mass 370.969953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J91bSruC5tf
Name 4-Bromo-3-(2-chloro-2,3,3,3-tetrafluoropropyl)-2-ethyl-1H-indole
Appearance Yellow oil
Carrier Gas Helium
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Exact Mass 370.969952710 u
Formula C13H11BrClF4N
GC Oven Program Oven temp 200 oC
InChI InChI=1S/C13H11BrClF4N/c1-2-9-7(6-12(15,16)13(17,18)19)11-8(14)4-3-5-10(11)20-9/h3-5,20H,2,6H2,1H3
InChIKey HWTDWBKGQNBCLU-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973 GC
Ionization Type EI
Literature Reference DOI 10.1002/anie.202208420
Molecular Weight 372.589 g/mol
Quality 359
Reported Formula C13H11BrClF4N
SMILES N1C(=C(C2=C1C=CC=C2Br)CC(C(F)(F)F)(Cl)F)CC
SPLASH splash10-000i-0191000000-9458eaf65ef67b3984b4
Source of Spectrum ACI-61-SM57-59 (DOI: 10.1002/anie.202208420)
Thin-Layer Chromatography 0.81 (hexane/ethyl acetate, 1:1)
Wiley ID 1897990