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Methyl 5-ethyl-2-({[2-(2-furoyl)hydrazino]carbothioyl}amino)-3-thiophenecarboxylate
SpectraBase Compound ID JzvdW3AGAeO
InChI InChI=1S/C14H15N3O4S2/c1-3-8-7-9(13(19)20-2)12(23-8)15-14(22)17-16-11(18)10-5-4-6-21-10/h4-7H,3H2,1-2H3,(H,16,18)(H2,15,17,22)
InChIKey KQJWOZIYEZPEOI-UHFFFAOYSA-N
Mol Weight 353.41 g/mol
Molecular Formula C14H15N3O4S2
Exact Mass 353.050398 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1wuYzkffMe6
Name Methyl 5-ethyl-2-({[2-(2-furoyl)hydrazino]carbothioyl}amino)-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 353.050398319 u
Formula C14H15N3O4S2
InChI InChI=1S/C14H15N3O4S2/c1-3-8-7-9(13(19)20-2)12(23-8)15-14(22)17-16-11(18)10-5-4-6-21-10/h4-7H,3H2,1-2H3,(H,16,18)(H2,15,17,22)
InChIKey KQJWOZIYEZPEOI-UHFFFAOYSA-N
Molecular Weight 353.411 g/mol
SMILES N(C1=C(C=C(S1)CC)C(=O)OC)C(NNC(C=1OC=CC1)=O)=S