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4,4,4-Trifluoro-1-(4-nitrophenyl)butan-1-one

View entire compound with spectra: 1 MS (GC)

4,4,4-Trifluoro-1-(4-nitrophenyl)butan-1-one
SpectraBase Compound ID 9EtW69ydSPx
InChI InChI=1S/C10H8F3NO3/c11-10(12,13)6-5-9(15)7-1-3-8(4-2-7)14(16)17/h1-4H,5-6H2
InChIKey YPJRAHONICKPEH-UHFFFAOYSA-N
Mol Weight 247.17 g/mol
Molecular Formula C10H8F3NO3
Exact Mass 247.045628 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A61mVmvlvPn
Name 4,4,4-Trifluoro-1-(4-nitrophenyl)butan-1-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8F3NO3
InChI InChI=1S/C10H8F3NO3/c11-10(12,13)6-5-9(15)7-1-3-8(4-2-7)14(16)17/h1-4H,5-6H2
InChIKey YPJRAHONICKPEH-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c3cc47879c
Molecular Weight 247.173 g/mol
SMILES c1cc(ccc1[N+](=O)[O-])C(CCC(F)(F)F)=O
SPLASH splash10-0udi-3900000000-c351c1608f11773f16e7
Source of Spectrum KD-50-1077/SMS14-2j
Wiley ID 1754276