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1,2,3,4-Tetrahydroisoquinoline-2-thiocarboxylic acid 2-[1-[2-pyridyl]ethylidene]hydrazide

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1,2,3,4-Tetrahydroisoquinoline-2-thiocarboxylic acid 2-[1-[2-pyridyl]ethylidene]hydrazide
SpectraBase Compound ID 6qxh1fiNOuA
InChI InChI=1S/C17H18N4S/c1-13(16-8-4-5-10-18-16)19-20-17(22)21-11-9-14-6-2-3-7-15(14)12-21/h2-8,10H,9,11-12H2,1H3,(H,20,22)/b19-13+
InChIKey OULGZJNCCOSBOI-CPNJWEJPSA-N
Mol Weight 310.42 g/mol
Molecular Formula C17H18N4S
Exact Mass 310.125218 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LBBX0sOLARL
Name 1,2,3,4-Tetrahydroisoquinoline-2-thiocarboxylic acid 2-[1-[2-pyridyl]ethylidene]hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 310.125217770 u
Formula C17H18N4S
InChI InChI=1S/C17H18N4S/c1-13(16-8-4-5-10-18-16)19-20-17(22)21-11-9-14-6-2-3-7-15(14)12-21/h2-8,10H,9,11-12H2,1H3,(H,20,22)/b19-13+
InChIKey OULGZJNCCOSBOI-CPNJWEJPSA-N
Molecular Weight 310.419 g/mol
SMILES C1C2=C(C=CC=C2)CCN1C(=S)N\N=C/(C)C1=NC=CC=C1