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1-(4-Chlorophenyl)-2-(trifluoromethyl)aziridine
SpectraBase Compound ID AxEBm6FoHtY
InChI InChI=1S/C9H7ClF3N/c10-6-1-3-7(4-2-6)14-5-8(14)9(11,12)13/h1-4,8H,5H2
InChIKey NAMIEXIAYFMXRR-UHFFFAOYSA-N
Mol Weight 221.61 g/mol
Molecular Formula C9H7ClF3N
Exact Mass 221.021911 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bl5bA7GfRnl
Name 1-(4-Chlorophenyl)-2-(trifluoromethyl)aziridine
Appearance Yellow oil
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 221.021911418 u
Formula C9H7ClF3N
InChI InChI=1S/C9H7ClF3N/c10-6-1-3-7(4-2-6)14-5-8(14)9(11,12)13/h1-4,8H,5H2
InChIKey NAMIEXIAYFMXRR-UHFFFAOYSA-N
Instrument Name Agilent 5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.201802347
Molecular Weight 221.610 g/mol
Quality 660
Reported Formula C9H8ClF3N
SMILES C1(=CC=C(C=C1)Cl)N1C(C1)C(F)(F)F
SPLASH splash10-004i-5910000000-8442e93e0be87ba93919
Source of Spectrum ACI-57-SM22-3k (DOI: 10.1002/anie.201802347)
Thin-Layer Chromatography 0.55 (hexanes/ethyl acetate, 100:1)
Wiley ID 1891048