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(4aR,8aR)-2-(benzyl)-3,7-diketo-1,4,8,8a-tetrahydroisoquinoline-4a-carboxylic acid methyl ester
SpectraBase Compound ID 1vY1csuOYVJ
InChI InChI=1S/C18H19NO4/c1-23-17(22)18-8-7-15(20)9-14(18)12-19(16(21)10-18)11-13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3/t14-,18-/m0/s1
InChIKey NRLHSMMCWSMXPQ-KSSFIOAISA-N
Mol Weight 313.35 g/mol
Molecular Formula C18H19NO4
Exact Mass 313.131408 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G6w9xYgxXXq
Name (4aR,8aR)-2-(benzyl)-3,7-diketo-1,4,8,8a-tetrahydroisoquinoline-4a-carboxylic acid methyl ester
Compound Number 36
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H19NO4
InChI InChI=1S/C18H19NO4/c1-23-17(22)18-8-7-15(20)9-14(18)12-19(16(21)10-18)11-13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3/t14-,18-/m0/s1
InChIKey NRLHSMMCWSMXPQ-KSSFIOAISA-N
Literature Reference Author Y.S.JUNG,W.H.SWARTZ,W.XU,P.S.MARIANO,N.J.GREEN,A.G.SCHULTZ
Literature Reference Citation J.ORG.CHEM.,57,6037(1992)
Literature Reference DOI 10.1021/jo00048a046
Molecular Weight 313.353 g/mol
Solvent CDCl3
Source File Reference UWCS3418