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N-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]-N'-(2-pyridinyl)thiourea

View entire compound with spectra: 2 NMR

N-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]-N'-(2-pyridinyl)thiourea
SpectraBase Compound ID GCBbXJz9Tel
InChI InChI=1S/C16H15N3O2S/c1-21-13-8-5-12(6-9-13)7-10-15(20)19-16(22)18-14-4-2-3-11-17-14/h2-11H,1H3,(H2,17,18,19,20,22)/b10-7+
InChIKey XURMRMOGLUXFMC-JXMROGBWSA-N
Mol Weight 313.37 g/mol
Molecular Formula C16H15N3O2S
Exact Mass 313.088498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EXgQQvqPDAL
Name N-[(2E)-3-(4-Methoxyphenyl)-2-propenoyl]-N'-(2-pyridinyl)thiourea
Comments Computed using HOSE algorithm
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Exact Mass 313.088497907 u
Formula C16H15N3O2S
InChI InChI=1S/C16H15N3O2S/c1-21-13-8-5-12(6-9-13)7-10-15(20)19-16(22)18-14-4-2-3-11-17-14/h2-11H,1H3,(H2,17,18,19,20,22)/b10-7+
InChIKey XURMRMOGLUXFMC-JXMROGBWSA-N
Molecular Weight 313.375 g/mol
SMILES N(C(NC1=NC=CC=C1)=S)C(\C=C\C1=CC=C(C=C1)OC)=O