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Cyclopenta[b]-1,2,3-triazolo[4,5-e]pyridin-8(1H)-one, 4-(3-chlorophenyl)-4,5,6,7-tetrahydro-
SpectraBase Compound ID E5CzTKziPOb
InChI InChI=1S/C14H11ClN4O/c15-8-3-1-4-9(7-8)19-11-6-2-5-10(11)13(20)12-14(19)17-18-16-12/h1,3-4,7H,2,5-6H2,(H,16,17,18)
InChIKey NPQZNJWUSYQXLF-UHFFFAOYSA-N
Mol Weight 286.72 g/mol
Molecular Formula C14H11ClN4O
Exact Mass 286.062139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AbGL2Zh5Cuf
Name Cyclopenta[B]-1,2,3-triazolo[4,5-E]pyridin-8(1H)-one, 4-(3-chlorophenyl)-4,5,6,7-tetrahydro-
Comments Computed using HOSE algorithm
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Exact Mass 286.062138689 u
Formula C14H11ClN4O
InChI InChI=1S/C14H11ClN4O/c15-8-3-1-4-9(7-8)19-11-6-2-5-10(11)13(20)12-14(19)17-18-16-12/h1,3-4,7H,2,5-6H2,(H,16,17,18)
InChIKey NPQZNJWUSYQXLF-UHFFFAOYSA-N
Molecular Weight 286.722 g/mol
SMILES C12=C(C(=O)C3=C(N2C=2C=C(Cl)C=CC2)CCC3)NN=N1