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(4aR,8aR)-7-keto-4a-(pyrrolidine-1-carbonyl)-3,4,8,8a-tetrahydro-1H-isoquinoline-2-carboxylic acid ethyl ester
SpectraBase Compound ID Gvkg8qXOtIG
InChI InChI=1S/C17H24N2O4/c1-2-23-16(22)19-10-7-17(15(21)18-8-3-4-9-18)6-5-14(20)11-13(17)12-19/h5-6,13H,2-4,7-12H2,1H3/t13-,17-/m0/s1
InChIKey QQVBCEZPYUOZGR-GUYCJALGSA-N
Mol Weight 320.39 g/mol
Molecular Formula C17H24N2O4
Exact Mass 320.173607 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2HPSxU6AK60
Name (4aR,8aR)-7-keto-4a-(pyrrolidine-1-carbonyl)-3,4,8,8a-tetrahydro-1H-isoquinoline-2-carboxylic acid ethyl ester
Compound Number 42
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H24N2O4
InChI InChI=1S/C17H24N2O4/c1-2-23-16(22)19-10-7-17(15(21)18-8-3-4-9-18)6-5-14(20)11-13(17)12-19/h5-6,13H,2-4,7-12H2,1H3/t13-,17-/m0/s1
InChIKey QQVBCEZPYUOZGR-GUYCJALGSA-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 320.389 g/mol
Solvent CDCl3
Source File Reference UWCS3423