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2-[4-Oxo-6-phenylthieno[3,2-c]pyridin-5(4H)-yl]-pyridine-2-oxide
SpectraBase Compound ID 1TwIIrFTptz
InChI InChI=1S/C18H12N2O2S/c21-18-14-9-11-23-16(14)12-15(13-6-2-1-3-7-13)20(18)17-8-4-5-10-19(17)22/h1-12H
InChIKey BXXMSUFOBQJOHZ-UHFFFAOYSA-N
Mol Weight 320.37 g/mol
Molecular Formula C18H12N2O2S
Exact Mass 320.061949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 37wdhUzmYKN
Name 2-[4-Oxo-6-phenylthieno[3,2-c]pyridin-5(4H)-yl]-pyridine-2-oxide
Appearance White solid
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Exact Mass 320.061948806 u
Formula C18H12N2O2S
InChI InChI=1S/C18H12N2O2S/c21-18-14-9-11-23-16(14)12-15(13-6-2-1-3-7-13)20(18)17-8-4-5-10-19(17)22/h1-12H
InChIKey BXXMSUFOBQJOHZ-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201712647
Molecular Weight 320.366 g/mol
Quality 144
Reported Formula C18H12N2O2S
SMILES C12=C(C=C(N(C2=O)C=2[N+](=CC=CC2)[O-])C=2C=CC=CC2)SC=C1
SPLASH splash10-003r-4931000000-401d327d2ac9fb608d48
Source of Spectrum ACI-57-SM16-3qa (DOI: 10.1002/anie.201712647)
Wiley ID 1891227