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trans-(3-Methoxycarbonyl-9-methyl-1,2,3,4-tetrahydro-9H-pyrido[3,4-B]indol-1-yl)-cyclohexane
SpectraBase Compound ID AiuIKUfYJE2
InChI InChI=1S/C20H26N2O2/c1-22-17-11-7-6-10-14(17)15-12-16(20(23)24-2)21-18(19(15)22)13-8-4-3-5-9-13/h6-7,10-11,13,16,18,21H,3-5,8-9,12H2,1-2H3/t16-,18+/m1/s1
InChIKey LOUWPIIDDUWOBZ-AEFFLSMTSA-N
Mol Weight 326.44 g/mol
Molecular Formula C20H26N2O2
Exact Mass 326.199428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EYm5dofM8n9
Name TRANS-[3-(METHOXYCARBONYL)-9-METHYL-1,2,3,4-TETRAHYDRO-9H-PYRIDO-[3,4-B]-INDOL-1-YL]-CYCLOHEXANE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H26N2O2
InChI InChI=1S/C20H26N2O2/c1-22-17-11-7-6-10-14(17)15-12-16(20(23)24-2)21-18(19(15)22)13-8-4-3-5-9-13/h6-7,10-11,13,16,18,21H,3-5,8-9,12H2,1-2H3/t16-,18+/m1/s1
InChIKey LOUWPIIDDUWOBZ-AEFFLSMTSA-N
Literature Reference Author F.UNGEMACH,D.SOERENS,R.WEBER,M.DIPIERRO,O.CAMPOS,P.MOKRY,J.M .COOK,J.V.SILVERTON
Literature Reference Citation J.AM.CHEM.SOC.,102,6976(1980)
Literature Reference DOI 10.1021/ja00543a012
Molecular Weight 326.439 g/mol
Solvent CDCl3
Source File Reference UWCS13579