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acetic acid [(4aR,8aR)-2-(benzyl)-7-keto-3,4,8,8a-tetrahydro-1H-isoquinolin-4a-yl]methyl ester
SpectraBase Compound ID IjVXuG3jiYR
InChI InChI=1S/C19H23NO3/c1-15(21)23-14-19-8-7-18(22)11-17(19)13-20(10-9-19)12-16-5-3-2-4-6-16/h2-8,17H,9-14H2,1H3/t17-,19+/m0/s1
InChIKey VXCBPMNPNOQKSS-PKOBYXMFSA-N
Mol Weight 313.4 g/mol
Molecular Formula C19H23NO3
Exact Mass 313.167794 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K3Z4ZTFGYKx
Name acetic acid [(4aR,8aR)-2-(benzyl)-7-keto-3,4,8,8a-tetrahydro-1H-isoquinolin-4a-yl]methyl ester
Compound Number 38
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H23NO3
InChI InChI=1S/C19H23NO3/c1-15(21)23-14-19-8-7-18(22)11-17(19)13-20(10-9-19)12-16-5-3-2-4-6-16/h2-8,17H,9-14H2,1H3/t17-,19+/m0/s1
InChIKey VXCBPMNPNOQKSS-PKOBYXMFSA-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 313.397 g/mol
Solvent CDCl3
Source File Reference UWCS3419