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2-(methylthio)-N-(2-(methylthio)phenyl)nicotinamide
SpectraBase Compound ID 3Gu7h6db3f2
InChI InChI=1S/C14H14N2OS2/c1-18-12-8-4-3-7-11(12)16-13(17)10-6-5-9-15-14(10)19-2/h3-9H,1-2H3,(H,16,17)
InChIKey BGRPGQMPFGVVQL-UHFFFAOYSA-N
Mol Weight 290.4 g/mol
Molecular Formula C14H14N2OS2
Exact Mass 290.054755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G1d9r6564qL
Name 2-(methylthio)-N-(2-(methylthio)phenyl)nicotinamide
Appearance Off-white solid
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Exact Mass 290.054755426 u
Formula C14H14N2OS2
GC Oven Program Oven temp 290 oC or 320 oC
InChI InChI=1S/C14H14N2OS2/c1-18-12-8-4-3-7-11(12)16-13(17)10-6-5-9-15-14(10)19-2/h3-9H,1-2H3,(H,16,17)
InChIKey BGRPGQMPFGVVQL-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7890A-5975C VL/5975 inert GC
Ionization Type EI
Literature Reference DOI 10.1002/anie.201609393
Quality 357
Reported Formula C14H14N2OS2
SMILES N(C1=CC=CC=C1SC)C(=O)C=1C(=NC=CC1)SC
SPLASH splash10-0f6x-2490000000-02ec58790e98785c0744
Source of Spectrum ACI-56-SM47-6j (DOI: 10.1002/anie.201609393)
Thin-Layer Chromatography 0.24 (pentane/EtOAc, 8:2)
Wiley ID 1892812