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(2-Amino-4-(pentafluorosulfanyl)phenyl)(3,4,5-trimethoxyphenyl)methanone
SpectraBase Compound ID BF5pMFs7EMD
InChI InChI=1S/C16H16F5NO4S/c1-24-13-6-9(7-14(25-2)16(13)26-3)15(23)11-5-4-10(8-12(11)22)27(17,18,19,20)21/h4-8H,22H2,1-3H3
InChIKey VPJMJTJOUJGWJI-UHFFFAOYSA-N
Mol Weight 413.36 g/mol
Molecular Formula C16H16F5NO4S
Exact Mass 413.07202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2UNVhLzJUe
Name (2-Amino-4-(pentafluorosulfanyl)phenyl)(3,4,5-trimethoxyphenyl)methanone
Appearance Pale yellow solid
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Formula C16H16F5NO4S
InChI InChI=1S/C16H16F5NO4S/c1-24-13-6-9(7-14(25-2)16(13)26-3)15(23)11-5-4-10(8-12(11)22)27(17,18,19,20)21/h4-8H,22H2,1-3H3
InChIKey VPJMJTJOUJGWJI-UHFFFAOYSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.9.43
Molecular Weight 413.359 g/mol
Reported Formula C16H16F5NO4S
SMILES Nc1c(ccc(c1)S(F)(F)(F)(F)F)C(=O)c1cc(c(c(c1)OC)OC)OC
SPLASH splash10-03e9-0118900000-a50e52841a0018b41822
Source of Spectrum BJO-9-SM7-11e
Thin-Layer Chromatography Rf = 0.16 (EtOAc/PE, 15:85)
Wiley ID 1853817