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GqdGwi5MgeB
spectrumID
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GqdGwi5MgeB
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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(1S,6AS,10S)-ALPHA-METHOXY-OCTAHYDRO-2-OXO-2-H-CYCLOHEXA-[H]-PYRROLIZIN-1-YL-BENZENE-ACETIC-ACIDESTER
SpectraBase Compound ID KBeRXM4wCAB
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+/m0/s1
InChIKey MPFXGTWTZUJDOL-TVKQPGBESA-N
Mol Weight 343.42 g/mol
Molecular Formula C20H25NO4
Exact Mass 343.178358 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GqdGwi5MgeB
Name (1S,6AS,10S)-ALPHA-METHOXY-OCTAHYDRO-2-OXO-2-H-CYCLOHEXA-[H]-PYRROLIZIN-1-YL-BENZENE-ACETIC-ACIDESTER
Compound Number 36A
Copyright Copyright © 2016-2025 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+/m0/s1
InChIKey MPFXGTWTZUJDOL-TVKQPGBESA-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 27971
Solvent CDCl3
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