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3-pyridinecarboxamide, 2-(1,3-benzodioxol-5-yloxy)-N-(4-chlorophenyl)-
SpectraBase Compound ID 3TBFyuf0VOS
InChI InChI=1S/C19H13ClN2O4/c20-12-3-5-13(6-4-12)22-18(23)15-2-1-9-21-19(15)26-14-7-8-16-17(10-14)25-11-24-16/h1-10H,11H2,(H,22,23)
InChIKey OGPMSMQBHLDGBC-UHFFFAOYSA-N
Mol Weight 368.78 g/mol
Molecular Formula C19H13ClN2O4
Exact Mass 368.056385 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7XdyI1tIIy2
Name 3-Pyridinecarboxamide, 2-(1,3-benzodioxol-5-yloxy)-N-(4-chlorophenyl)-
Comments Computed using HOSE algorithm
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Exact Mass 368.056384603 u
Formula C19H13ClN2O4
InChI InChI=1S/C19H13ClN2O4/c20-12-3-5-13(6-4-12)22-18(23)15-2-1-9-21-19(15)26-14-7-8-16-17(10-14)25-11-24-16/h1-10H,11H2,(H,22,23)
InChIKey OGPMSMQBHLDGBC-UHFFFAOYSA-N
Molecular Weight 368.776 g/mol
SMILES C(C1=C(OC=2C=C3OCOC3=CC2)N=CC=C1)(NC1=CC=C(C=C1)Cl)=O