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(E)-2-(But-1-enyl)-1-nitro-4-trifluoromethylbenzene
SpectraBase Compound ID JIXuJbia9C8
InChI InChI=1S/C11H10F3NO2/c1-2-3-4-8-7-9(11(12,13)14)5-6-10(8)15(16)17/h3-7H,2H2,1H3/b4-3+
InChIKey RTEWPYJPZQTFDL-ONEGZZNKSA-N
Mol Weight 245.2 g/mol
Molecular Formula C11H10F3NO2
Exact Mass 245.066363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GxQAQB4fi8x
Name (E)-2-(But-1-enyl)-1-nitro-4-trifluoromethylbenzene
Appearance Colourless oil
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Formula C11H10F3NO2
InChI InChI=1S/C11H10F3NO2/c1-2-3-4-8-7-9(11(12,13)14)5-6-10(8)15(16)17/h3-7H,2H2,1H3/b4-3+
InChIKey RTEWPYJPZQTFDL-ONEGZZNKSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201801018
Molecular Weight 245.201 g/mol
Quality 228
Reported Formula C11H10F3NO2
SMILES [N+]([O-])(=O)C1=CC=C(C=C1\C=C\CC)C(F)(F)F
SPLASH splash10-0a4i-9630000000-0f1e35b628322af27084
Source of Spectrum K1-2018-6654-7c (DOI: 10.1002/ejoc.201801018)
Wiley ID 1896967