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2-DEUTERO-1,2,3,4-TETRAHYDRO-13-(2-CYANOETHYL)-3,1-(IMINOETHANO)BENZO[G]QUINOXALIN-5,10-DIOL (ENDO/EXO MIXTURE)
SpectraBase Compound ID 5ZPNTWQ3dDF
InChI InChI=1S/C17H18N4O2/c18-6-3-7-20-8-9-21-10-13(20)19-14-15(21)17(23)12-5-2-1-4-11(12)16(14)22/h1-2,4-5,13,19,22-23H,3,7-10H2/t13-/m1/s1
InChIKey VSRFUGDXISWMCO-CYBMUJFWSA-N
Mol Weight 310.36 g/mol
Molecular Formula C17H18N4O2
Exact Mass 310.142976 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 83pvc4f4o4
Name 2-DEUTERO-1,2,3,4-TETRAHYDRO-13-(2-CYANOETHYL)-3,1-(IMINOETHANO)BENZO[G]QUINOXALIN-5,10-DIOL (ENDO/EXO MIXTURE)
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Formula C17H18N4O2
InChI InChI=1S/C17H18N4O2/c18-6-3-7-20-8-9-21-10-13(20)19-14-15(21)17(23)12-5-2-1-4-11(12)16(14)22/h1-2,4-5,13,19,22-23H,3,7-10H2/t13-/m1/s1
InChIKey VSRFUGDXISWMCO-CYBMUJFWSA-N
Instrument Name Bruker AC-200
Literature Reference V.N.BEREZHNAYA, V.P.VETCHINOV, V.I.MAMATYUK, R.P.SHISHKINA (1993) Izv.Akad.NaukSSSR(Russ. Lang.): N5, 944-949.
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CD4O/C6D5CD3