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(E)-1-(2-Nitro-5-(pentafluorosulfanyl)styryl)naphthalene
SpectraBase Compound ID 99qKuROofRL
InChI InChI=1S/C18H12F5NO2S/c19-27(20,21,22,23)16-10-11-18(24(25)26)15(12-16)9-8-14-6-3-5-13-4-1-2-7-17(13)14/h1-12H/b9-8+
InChIKey BBRZSKYKYBAAHH-CMDGGOBGSA-N
Mol Weight 401.35 g/mol
Molecular Formula C18H12F5NO2S
Exact Mass 401.050891 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1f4aOuz1zgG
Name (E)-1-(2-Nitro-5-(pentafluorosulfanyl)styryl)naphthalene
Appearance Yellow solid
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Formula C18H12F5NO2S
InChI InChI=1S/C18H12F5NO2S/c19-27(20,21,22,23)16-10-11-18(24(25)26)15(12-16)9-8-14-6-3-5-13-4-1-2-7-17(13)14/h1-12H/b9-8+
InChIKey BBRZSKYKYBAAHH-CMDGGOBGSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.131
Molecular Weight 401.351 g/mol
Reported Formula C18H12F5NO2S
SMILES c1([N+](=O)[O-])c(cc(cc1)S(F)(F)(F)(F)F)\C=C\c1c2c(ccc1)cccc2
SPLASH splash10-0a6r-0910200000-ab49f9dba8ac10b2fc41
Source of Spectrum BJO-8-SM4-5e
Thin-Layer Chromatography Rf = 0.34 (hexane/acetone, 97.5:2.5)
Wiley ID 1864903