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acetic acid [(4aR,8aR)-2-(benzyl)-7-keto-5-methoxy-3,4,8,8a-tetrahydro-1H-isoquinolin-4a-yl]methyl ester
SpectraBase Compound ID D6mZS2guYbv
InChI InChI=1S/C20H25NO4/c1-15(22)25-14-20-8-9-21(12-16-6-4-3-5-7-16)13-17(20)10-18(23)11-19(20)24-2/h3-7,11,17H,8-10,12-14H2,1-2H3/t17-,20-/m0/s1
InChIKey AODGLRPBLXEGAO-PXNSSMCTSA-N
Mol Weight 343.42 g/mol
Molecular Formula C20H25NO4
Exact Mass 343.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3uH18GRgngN
Name acetic acid [(4aR,8aR)-2-(benzyl)-7-keto-5-methoxy-3,4,8,8a-tetrahydro-1H-isoquinolin-4a-yl]methyl ester
Compound Number 46
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H25NO4
InChI InChI=1S/C20H25NO4/c1-15(22)25-14-20-8-9-21(12-16-6-4-3-5-7-16)13-17(20)10-18(23)11-19(20)24-2/h3-7,11,17H,8-10,12-14H2,1-2H3/t17-,20-/m0/s1
InChIKey AODGLRPBLXEGAO-PXNSSMCTSA-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 343.423 g/mol
Solvent CDCl3
Source File Reference UWCS3427