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{[(4-Nitrophenyl)methyl]sulfanyl}methanimidamide, N,N'-diacetyl-

View entire compound with spectra: 1 NMR

{[(4-Nitrophenyl)methyl]sulfanyl}methanimidamide, N,N'-diacetyl-
SpectraBase Compound ID J4siPoX0hhl
InChI InChI=1S/C12H13N3O4S/c1-8(16)13-12(14-9(2)17)20-7-10-3-5-11(6-4-10)15(18)19/h3-6H,7H2,1-2H3,(H,13,14,16,17)
InChIKey OMPRTAXLJDITTP-UHFFFAOYSA-N
Mol Weight 295.31 g/mol
Molecular Formula C12H13N3O4S
Exact Mass 295.062677 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KQ8yUg12HRQ
Name {[(4-Nitrophenyl)methyl]sulfanyl}methanimidamide, N,N'-diacetyl-
Comments Computed using HOSE algorithm
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Exact Mass 295.062677081 u
Formula C12H13N3O4S
InChI InChI=1S/C12H13N3O4S/c1-8(16)13-12(14-9(2)17)20-7-10-3-5-11(6-4-10)15(18)19/h3-6H,7H2,1-2H3,(H,13,14,16,17)
InChIKey OMPRTAXLJDITTP-UHFFFAOYSA-N
Molecular Weight 295.313 g/mol
SMILES C(S\C(NC(C)=O)=N\C(C)=O)C1=CC=C(C=C1)N(=O)=O