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(S)-6,7-DIHYDRO-3,4,9,10,11-PENTAMETHOXY-5H-DIBENZO-[A,C]-CYCLOHEPTEN-5-AMINE;M-CONFORMER
SpectraBase Compound ID 2Hq5NEIYoeU
InChI InChI=1S/C20H25NO5/c1-22-14-9-7-12-16-11(6-8-13(21)17(12)18(14)24-3)10-15(23-2)19(25-4)20(16)26-5/h7,9-10,13H,6,8,21H2,1-5H3/t13-/m1/s1
InChIKey ZXVIUVBVCWSTSL-CYBMUJFWSA-N
Mol Weight 359.42 g/mol
Molecular Formula C20H25NO5
Exact Mass 359.173273 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FlVLmjbtYbc
Name (S)-6,7-DIHYDRO-3,4,9,10,11-PENTAMETHOXY-5H-DIBENZO-[A,C]-CYCLOHEPTEN-5-AMINE;P-CONFORMER
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H25NO5
InChI InChI=1S/C20H25NO5/c1-22-14-9-7-12-16-11(6-8-13(21)17(12)18(14)24-3)10-15(23-2)19(25-4)20(16)26-5/h7,9-10,13H,6,8,21H2,1-5H3/t13-/m1/s1
InChIKey ZXVIUVBVCWSTSL-CYBMUJFWSA-N
Literature Reference Author R.BRECHT,G.SEITZ,D.GUENARD,S.THORET
Literature Reference Citation BIOORG.MED.CHEM.,8,557(2000)
Literature Reference DOI 10.1016/S0968-0896(99)00318-1
Molecular Weight 359.422 g/mol
Solvent CDCl3
Source File Reference UWVN20140