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5-(4-(Trifluoromethoxy)phenyl)benzo[c][1,2,5]oxadiazole
SpectraBase Compound ID 6X9vPD1pAl5
InChI InChI=1S/C13H7F3N2O2/c14-13(15,16)19-10-4-1-8(2-5-10)9-3-6-11-12(7-9)18-20-17-11/h1-7H
InChIKey PKFFFANWNGOCMZ-UHFFFAOYSA-N
Mol Weight 280.21 g/mol
Molecular Formula C13H7F3N2O2
Exact Mass 280.045962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BzwIUUaZg7I
Name 5-(4-(Trifluoromethoxy)phenyl)benzo[c][1,2,5]oxadiazole
Appearance Yellow oil
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Exact Mass 280.045961960 u
Formula C13H7F3N2O2
InChI InChI=1S/C13H7F3N2O2/c14-13(15,16)19-10-4-1-8(2-5-10)9-3-6-11-12(7-9)18-20-17-11/h1-7H
InChIKey PKFFFANWNGOCMZ-UHFFFAOYSA-N
Instrument Name Finnigan MAT 90 or JEOL JMS-700
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.202005282
Molecular Weight 280.206 g/mol
Quality 374
Reported Formula C13H7F3N2O2
SMILES C(OC1=CC=C(C=C1)C=1C=CC=2C(=NON2)C1)(F)(F)F
SPLASH splash10-0f89-1390000000-e452c97593203982b84b
Source of Spectrum QE-27-SM21-2p (DOI: 10.1002/chem.202005282)
Thin-Layer Chromatography 0.55 (hexane/EtOAc, 9:1, UV, KMnO4, PAA)
Wiley ID 1901953