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3-(2-Chloro-2,3,3,3-tetrafluoropropyl)-1-methyl-1H-indole
SpectraBase Compound ID IrrmSVVEMCO
InChI InChI=1S/C12H10ClF4N/c1-18-7-8(6-11(13,14)12(15,16)17)9-4-2-3-5-10(9)18/h2-5,7H,6H2,1H3
InChIKey FKTODRIUKJNABE-UHFFFAOYSA-N
Mol Weight 279.67 g/mol
Molecular Formula C12H10ClF4N
Exact Mass 279.04379 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5pJbyEoFyi2
Name 3-(2-Chloro-2,3,3,3-tetrafluoropropyl)-1-methyl-1H-indole
Appearance Green oil
Carrier Gas Helium
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Exact Mass 279.043789678 u
Formula C12H10ClF4N
GC Oven Program Oven temp 200 oC
InChI InChI=1S/C12H10ClF4N/c1-18-7-8(6-11(13,14)12(15,16)17)9-4-2-3-5-10(9)18/h2-5,7H,6H2,1H3
InChIKey FKTODRIUKJNABE-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973 GC
Ionization Type EI
Literature Reference DOI 10.1002/anie.202208420
Molecular Weight 279.666 g/mol
Quality 292
Reported Formula C12H10ClF4N
SMILES C1=CC2=C(C=C1)N(C=C2CC(C(F)(F)F)(Cl)F)C
SPLASH splash10-0006-0910000000-68219ae0f087cb9492d9
Source of Spectrum ACI-61-SM58-60 (DOI: 10.1002/anie.202208420)
Thin-Layer Chromatography 0.54 (hexane/ethyl acetate, 4:1)
Wiley ID 1897992