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2-(2-(Trifluoromethyl)aziridin-1-yl)aniline
SpectraBase Compound ID 1FEt43l7N5Y
InChI InChI=1S/C9H9F3N2/c10-9(11,12)8-5-14(8)7-4-2-1-3-6(7)13/h1-4,8H,5,13H2
InChIKey JHXQDTBKDSEROW-UHFFFAOYSA-N
Mol Weight 202.18 g/mol
Molecular Formula C9H9F3N2
Exact Mass 202.071783 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GW1JxbxoGA
Name 2-(2-(Trifluoromethyl)aziridin-1-yl)aniline
Appearance Brown oil
Carrier Gas Helium
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Exact Mass 202.071782787 u
Formula C9H9F3N2
InChI InChI=1S/C9H9F3N2/c10-9(11,12)8-5-14(8)7-4-2-1-3-6(7)13/h1-4,8H,5,13H2
InChIKey JHXQDTBKDSEROW-UHFFFAOYSA-N
Instrument Name Agilent 5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.201802347
Molecular Weight 202.180 g/mol
Quality 334
Reported Formula C9H10F3N2
SMILES NC=1C(=CC=CC1)N1C(C1)C(F)(F)F
SPLASH splash10-0uyi-4930000000-21097d00e65f01d6831c
Source of Spectrum ACI-57-SM26-3q (DOI: 10.1002/anie.201802347)
Thin-Layer Chromatography 0.43 (hexanes/ethyl acetate, 5:1)
Wiley ID 1891054