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N-(2-Chloro-2,3,3,3-tetrafluoropropyl)-4-fluoroaniline
SpectraBase Compound ID K6LyDeSF8s3
InChI InChI=1S/C9H7ClF5N/c10-8(12,9(13,14)15)5-16-7-3-1-6(11)2-4-7/h1-4,16H,5H2
InChIKey JXBOCVCOHNUTIE-UHFFFAOYSA-N
Mol Weight 259.61 g/mol
Molecular Formula C9H7ClF5N
Exact Mass 259.018718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CXpddtTUPqR
Name N-(2-Chloro-2,3,3,3-tetrafluoropropyl)-4-fluoroaniline
Appearance Yellowish oil
Carrier Gas Helium
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Exact Mass 259.018717744 u
Formula C9H7ClF5N
GC Oven Program Oven temp 200 oC
InChI InChI=1S/C9H7ClF5N/c10-8(12,9(13,14)15)5-16-7-3-1-6(11)2-4-7/h1-4,16H,5H2
InChIKey JXBOCVCOHNUTIE-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973 GC
Ionization Type EI
Literature Reference DOI 10.1002/anie.202208420
Molecular Weight 259.607 g/mol
Quality 269
Reported Formula C9H7ClF5N
SMILES N(C=1C=CC(=CC1)F)CC(F)(Cl)C(F)(F)F
SPLASH splash10-00di-3910000000-0231754e67eb6cb533d1
Source of Spectrum ACI-61-SM47-28 (DOI: 10.1002/anie.202208420)
Thin-Layer Chromatography 0.69 (hexane/ethyl acetate, 4:1)
Wiley ID 1897955