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N-(Pentan-3-yl)-4-(trifluoromethoxy)aniline
SpectraBase Compound ID 3oJ9fSv8Zyd
InChI InChI=1S/C12H16F3NO/c1-3-9(4-2)16-10-5-7-11(8-6-10)17-12(13,14)15/h5-9,16H,3-4H2,1-2H3
InChIKey AINBFJZXEUHAIQ-UHFFFAOYSA-N
Mol Weight 247.26 g/mol
Molecular Formula C12H16F3NO
Exact Mass 247.118399 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4iHPdHVKu7E
Name N-(Pentan-3-yl)-4-(trifluoromethoxy)aniline
Appearance Orange oil
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Formula C12H16F3NO
InChI InChI=1S/C12H16F3NO/c1-3-9(4-2)16-10-5-7-11(8-6-10)17-12(13,14)15/h5-9,16H,3-4H2,1-2H3
InChIKey AINBFJZXEUHAIQ-UHFFFAOYSA-N
Instrument Name Waters Q-TOF Premier
Ionization Type EI
Literature Reference DOI 10.1002/chem.201904502
Molecular Weight 247.261 g/mol
Reported Formula C12H16F3NO
SMILES N(c1ccc(cc1)OC(F)(F)F)C(CC)CC
SPLASH splash10-014i-9170000000-bc1b49426ded19332797
Source of Spectrum QE-26-SM13-3o
Thin-Layer Chromatography Rf = 0.40 (SiO2, PE/MTBE, 30:1)
Wiley ID 1858501