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(R)-6-(HYDROXYMETHYL)-3-(7-OXO-2,5,6,7-TETRAHYDRO-1H-AZEPIN-3-YL)-N-(PYRIDIN-3-YL)-5,6-DIHYDROPYRIDINE-1(2H)-CARBOXAMIDE
SpectraBase Compound ID GCwBLPtXFoz
InChI InChI=1S/C18H22N4O3/c23-12-16-7-6-14(13-3-1-5-17(24)20-9-13)11-22(16)18(25)21-15-4-2-8-19-10-15/h2-4,6,8,10,16,23H,1,5,7,9,11-12H2,(H,20,24)(H,21,25)/t16-/m1/s1
InChIKey MJCBUESYMSXWHC-MRXNPFEDSA-N
Mol Weight 342.4 g/mol
Molecular Formula C18H22N4O3
Exact Mass 342.169191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dp16IWRzdjA
Name (R)-6-(HYDROXYMETHYL)-3-(7-OXO-2,5,6,7-TETRAHYDRO-1H-AZEPIN-3-YL)-N-(PYRIDIN-3-YL)-5,6-DIHYDROPYRIDINE-1(2H)-CARBOXAMIDE
Compound Number 68C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22N4O3
InChI InChI=1S/C18H22N4O3/c23-12-16-7-6-14(13-3-1-5-17(24)20-9-13)11-22(16)18(25)21-15-4-2-8-19-10-15/h2-4,6,8,10,16,23H,1,5,7,9,11-12H2,(H,20,24)(H,21,25)/t16-/m1/s1
InChIKey MJCBUESYMSXWHC-MRXNPFEDSA-N
Literature Reference Author S.K.MAURYA,M.DOW,S.WARRINER,A.NELSON
Literature Reference Citation BEIL.J.ORG.CHEM.,9,775(2013)
Literature Reference DOI 10.3762/bjoc.9.88
Molecular Weight 342.398 g/mol
Solvent CD3OD
Source File Reference UWLU77389