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ANTI-13-CIS-5,5A,6,12,12A,13-HEXAHYDRO-6,13-DIMETHYL-6,12-METHANO-QUINO-[3,4-B]-[1]-BENZAZEPINE
SpectraBase Compound ID Cuywp2mLPzi
InChI InChI=1S/C20H22N2/c1-12-13-7-3-5-9-15(13)22-19-18(12)17-11-20(19,2)14-8-4-6-10-16(14)21-17/h3-10,12,17-19,21-22H,11H2,1-2H3/t12-,17-,18+,19+,20-/m0/s1
InChIKey DIAQJDMCKFRWCQ-SBNAJNSHSA-N
Mol Weight 290.41 g/mol
Molecular Formula C20H22N2
Exact Mass 290.178299 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LtpR9XxNiEK
Name ANTI-13-CIS-5,5A,6,12,12A,13-HEXAHYDRO-6,13-DIMETHYL-6,12-METHANO-QUINO-[3,4-B]-[1]-BENZAZEPINE
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22N2
InChI InChI=1S/C20H22N2/c1-12-13-7-3-5-9-15(13)22-19-18(12)17-11-20(19,2)14-8-4-6-10-16(14)21-17/h3-10,12,17-19,21-22H,11H2,1-2H3/t12-,17-,18+,19+,20-/m0/s1
InChIKey DIAQJDMCKFRWCQ-SBNAJNSHSA-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 290.408 g/mol
Solvent C6D6
Source File Reference UWSI21742