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3-butyl-4-[[3-(trifluoromethyl)benzyl]amino]cyclobut-3-ene-1,2-quinone
SpectraBase Compound ID BBOrfkhqrVV
InChI InChI=1S/C16H16F3NO2/c1-2-3-7-12-13(15(22)14(12)21)20-9-10-5-4-6-11(8-10)16(17,18)19/h4-6,8,20H,2-3,7,9H2,1H3
InChIKey RMTAFXKSJZOVSK-UHFFFAOYSA-N
Mol Weight 311.3 g/mol
Molecular Formula C16H16F3NO2
Exact Mass 311.113313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BEZHHfmzCv7
Name 3-butyl-4-[[3-(trifluoromethyl)benzyl]amino]cyclobut-3-ene-1,2-quinone
Comments Less than 3 mono-isotopic peaks
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Formula C16H16F3NO2
InChI InChI=1S/C16H16F3NO2/c1-2-3-7-12-13(15(22)14(12)21)20-9-10-5-4-6-11(8-10)16(17,18)19/h4-6,8,20H,2-3,7,9H2,1H3
InChIKey RMTAFXKSJZOVSK-UHFFFAOYSA-N
Molecular Weight 311.304 g/mol
SMILES N(C=1C(C(C1CCCC)=O)=O)Cc1cc(ccc1)C(F)(F)F
SPLASH splash10-0a4i-0900000000-d4fd5548d7255e8492ea
Source of Spectrum K-2001-69-14
Synonyms 3-butyl-4-[[3-(trifluoromethyl)phenyl]methylamino]cyclobut-3-ene-1,2-dione
Wiley ID 1578309