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TRANS-[3-(METHOXYCARBONYL)-9-METHYL-1,2,3,4-TETRAHYDRO-9H-PYRIDO-[3,4-B]-INDOL-1-YL]-(1-ETHANE)
SpectraBase Compound ID 2EN4IOAyuRW
InChI InChI=1S/C16H20N2O2/c1-4-12-15-11(9-13(17-12)16(19)20-3)10-7-5-6-8-14(10)18(15)2/h5-8,12-13,17H,4,9H2,1-3H3/t12-,13+/m0/s1
InChIKey NMSCFFXYUMWPPG-QWHCGFSZSA-N
Mol Weight 272.35 g/mol
Molecular Formula C16H20N2O2
Exact Mass 272.152478 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DlDwbMoxw8q
Name TRANS-[3-(METHOXYCARBONYL)-9-METHYL-1,2,3,4-TETRAHYDRO-9H-PYRIDO-[3,4-B]-INDOL-1-YL]-(1-ETHANE)
Compound Number 12D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H20N2O2
InChI InChI=1S/C16H20N2O2/c1-4-12-15-11(9-13(17-12)16(19)20-3)10-7-5-6-8-14(10)18(15)2/h5-8,12-13,17H,4,9H2,1-3H3/t12-,13+/m0/s1
InChIKey NMSCFFXYUMWPPG-QWHCGFSZSA-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 272.347 g/mol
Solvent CDCl3
Source File Reference UWCS13589