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(E)-2-Nitro-1-(oct-1-en-1-yl)-4-(pentafluorosulfanyl)benzene
SpectraBase Compound ID 5iRVmTUWlIc
InChI InChI=1S/C14H18F5NO2S/c1-2-3-4-5-6-7-8-12-9-10-13(11-14(12)20(21)22)23(15,16,17,18)19/h7-11H,2-6H2,1H3/b8-7+
InChIKey SAIJFCSRSBREPU-BQYQJAHWSA-N
Mol Weight 359.36 g/mol
Molecular Formula C14H18F5NO2S
Exact Mass 359.097841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CSaG7e7PbCo
Name (E)-2-Nitro-1-(oct-1-en-1-yl)-4-(pentafluorosulfanyl)benzene
Appearance Pale yellow liquid
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Formula C14H18F5NO2S
InChI InChI=1S/C14H18F5NO2S/c1-2-3-4-5-6-7-8-12-9-10-13(11-14(12)20(21)22)23(15,16,17,18)19/h7-11H,2-6H2,1H3/b8-7+
InChIKey SAIJFCSRSBREPU-BQYQJAHWSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.131
Molecular Weight 359.355 g/mol
Reported Formula C14H18F5NO2S
SMILES c1([N+](=O)[O-])c(ccc(c1)S(F)(F)(F)(F)F)\C=C\CCCCCC
SPLASH splash10-0006-9450000000-2ef19337c7b5ca4a5e3b
Source of Spectrum BJO-8-SM6-6h
Thin-Layer Chromatography Rf = 0.25 (hexane)
Wiley ID 1864908