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thiourea, N-[(5-bromo-3-pyridinyl)carbonyl]-N'-(2,4-dimethoxyphenyl)-
SpectraBase Compound ID w6RCC1FBiE
InChI InChI=1S/C15H14BrN3O3S/c1-21-11-3-4-12(13(6-11)22-2)18-15(23)19-14(20)9-5-10(16)8-17-7-9/h3-8H,1-2H3,(H2,18,19,20,23)
InChIKey LJVVPSDJQQKVBU-UHFFFAOYSA-N
Mol Weight 396.26 g/mol
Molecular Formula C15H14BrN3O3S
Exact Mass 394.993925 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HXQb8cceZwk
Name Thiourea, N-[(5-bromo-3-pyridinyl)carbonyl]-N'-(2,4-dimethoxyphenyl)-
Comments Computed using HOSE algorithm
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Exact Mass 394.993925494 u
Formula C15H14BrN3O3S
InChI InChI=1S/C15H14BrN3O3S/c1-21-11-3-4-12(13(6-11)22-2)18-15(23)19-14(20)9-5-10(16)8-17-7-9/h3-8H,1-2H3,(H2,18,19,20,23)
InChIKey LJVVPSDJQQKVBU-UHFFFAOYSA-N
Molecular Weight 396.259 g/mol
SMILES N(C(NC(C=1C=C(Br)C=NC1)=O)=S)C=1C(=CC(=CC1)OC)OC