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1-(m-Fluorophenyl)-6-(5-nitro-3-thenoyl)-2-thiobiurea
SpectraBase Compound ID Gj38YTNeakq
InChI InChI=1S/C13H10FN5O4S2/c14-8-2-1-3-9(5-8)15-13(24)18-17-12(21)16-11(20)7-4-10(19(22)23)25-6-7/h1-6H,(H2,15,18,24)(H2,16,17,20,21)
InChIKey RCXRWTYAVNACDO-UHFFFAOYSA-N
Mol Weight 383.37 g/mol
Molecular Formula C13H10FN5O4S2
Exact Mass 383.015824 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AGZ0HBSBTGz
Name 1-(m-Fluorophenyl)-6-(5-nitro-3-thenoyl)-2-thiobiurea
Comments Computed using HOSE algorithm
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Exact Mass 383.015824329 u
Formula C13H10FN5O4S2
InChI InChI=1S/C13H10FN5O4S2/c14-8-2-1-3-9(5-8)15-13(24)18-17-12(21)16-11(20)7-4-10(19(22)23)25-6-7/h1-6H,(H2,15,18,24)(H2,16,17,20,21)
InChIKey RCXRWTYAVNACDO-UHFFFAOYSA-N
Molecular Weight 383.372 g/mol
SMILES N(C=1C=C(C=CC1)F)C(NNC(NC(C=1C=C(SC1)N(=O)=O)=O)=O)=S