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anti-6a,14.beta.-Dideutero-5,6,6a,7,13,13a-hexahydro-7,13-methanoquino[3,4-c][1]benzazepine

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anti-6a,14.beta.-Dideutero-5,6,6a,7,13,13a-hexahydro-7,13-methanoquino[3,4-c][1]benzazepine
SpectraBase Compound ID 10ogPbvteeJ
InChI InChI=1S/C18H18N2/c1-4-8-16-11(5-1)13-9-17(20-16)14-10-19-15-7-3-2-6-12(15)18(13)14/h1-8,13-14,17-20H,9-10H2/t13?,14-,17+,18+/m1/s1/i9D,14D/t9-,13?,14-,17+,18+
InChIKey CZKDOPWBRQDQQF-LAFWPTALSA-N
Mol Weight 264.37 g/mol
Molecular Formula C18H162H2N2
Exact Mass 264.159552 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Iop7Tuaa9M
Name ANTI-6A,14-BETA-DIDEUTERO-5,6,6A,7,13,13A-HEXAHYDRO-7,13-METHANO-QUINO-[3,4-C]-[1]-BENZAZEPINE
Compound Number 3 A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H162H2N2
InChI InChI=1S/C18H18N2/c1-4-8-16-11(5-1)13-9-17(20-16)14-10-19-15-7-3-2-6-12(15)18(13)14/h1-8,13-14,17-20H,9-10H2/t13?,14-,17+,18+/m1/s1/i9D,14D/t9-,13?,14-,17+,18+
InChIKey CZKDOPWBRQDQQF-LAFWPTALSA-N
Literature Reference Author J.C.GAUFFRE,M.GRIGNON-DUBOIS,B.REZZONICO,J.M.LEGER
Literature Reference Citation J.ORG.CHEM.,67,4696(2002)
Literature Reference DOI 10.1021/jo010961b
Molecular Weight 264.367 g/mol
Solvent CDCl3
Source File Reference UWSI21746