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N-(2-Chloro-2,3,3,3-tetrafluoropropyl)-4-nitroaniline
SpectraBase Compound ID tvJmAvaE2t
InChI InChI=1S/C9H7ClF4N2O2/c10-8(11,9(12,13)14)5-15-6-1-3-7(4-2-6)16(17)18/h1-4,15H,5H2
InChIKey AXQPKLMSDXUMCQ-UHFFFAOYSA-N
Mol Weight 286.61 g/mol
Molecular Formula C9H7ClF4N2O2
Exact Mass 286.013218 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IpcciS0h1M
Name N-(2-Chloro-2,3,3,3-tetrafluoropropyl)-4-nitroaniline
Appearance Yellow solid
Carrier Gas Helium
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Exact Mass 286.013217823 u
Formula C9H7ClF4N2O2
GC Oven Program Oven temp 200 oC
InChI InChI=1S/C9H7ClF4N2O2/c10-8(11,9(12,13)14)5-15-6-1-3-7(4-2-6)16(17)18/h1-4,15H,5H2
InChIKey AXQPKLMSDXUMCQ-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973 GC
Ionization Type EI
Literature Reference DOI 10.1002/anie.202208420
Molecular Weight 286.614 g/mol
Quality 311
Reported Formula C9H7ClF4N2O2
SMILES N(C=1C=CC(=CC1)[N+]([O-])=O)CC(F)(Cl)C(F)(F)F
SPLASH splash10-0zfr-1900000000-c5540fc8d41ee349a452
Source of Spectrum ACI-61-SM48-33 (DOI: 10.1002/anie.202208420)
Thin-Layer Chromatography 0.37 (hexane/ethyl acetate, 4:1)
Wiley ID 1897961