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(1R,6AR,10R)-ALPHA-METHOXY-OCTAHYDRO-2-OXO-2-H-CYCLOHEXA-[H]-PYRROLIZIN-1-YL-BENZENE-ACETIC-ACIDESTER
SpectraBase Compound ID KmvISdQIZKI
InChI InChI=1S/C20H25NO4/c1-24-16(14-8-3-2-4-9-14)19(23)25-17-15-10-5-6-11-20(15)12-7-13-21(20)18(17)22/h2-4,8-9,15-17H,5-7,10-13H2,1H3/t15-,16-,17+,20+/m1/s1
InChIKey MPFXGTWTZUJDOL-WWNBULGVSA-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 4liLnwRgCi6
Name (1R,6AR,10R)-ALPHA-METHOXY-OCTAHYDRO-2-OXO-2-H-CYCLOHEXA-[H]-PYRROLIZIN-1-YL-BENZENE-ACETIC-ACIDESTER
Compound Number 36B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H25NO4
InChI InChI=1S/C20H25NO4/c1-24-16(14-8-3-2-4-9-14)19(23)25-17-15-10-5-6-11-20(15)12-7-13-21(20)18(17)22/h2-4,8-9,15-17H,5-7,10-13H2,1H3/t15-,16-,17+,20+/m1/s1
InChIKey MPFXGTWTZUJDOL-WWNBULGVSA-N
Literature Reference Author S.E.DENMARK,D.S.MIDDLETON
Literature Reference Citation J.ORG.CHEM.,63,1604(1998)
Literature Reference DOI 10.1021/jo9719057
Molecular Weight 343.423 g/mol
Sample ID 27972
Solvent CDCl3