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(-)-METHYL-THEBAINE-5-BETA-CARBOXYLATE
SpectraBase Compound ID 1DCdWOh6G4O
InChI InChI=1S/C21H23NO5/c1-22-10-9-20-13-6-8-16(25-3)21(20,19(23)26-4)27-18-15(24-2)7-5-12(17(18)20)11-14(13)22/h5-8,14H,9-11H2,1-4H3/t14-,20+,21-/m1/s1
InChIKey ROOZZSFGECGYSX-PUCZYUMASA-N
Mol Weight 369.42 g/mol
Molecular Formula C21H23NO5
Exact Mass 369.157623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5cSGU3Mcvvr
Name (-)-METHYL-THEBAINE-5-BETA-CARBOXYLATE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H23NO5
InChI InChI=1S/C21H23NO5/c1-22-10-9-20-13-6-8-16(25-3)21(20,19(23)26-4)27-18-15(24-2)7-5-12(17(18)20)11-14(13)22/h5-8,14H,9-11H2,1-4H3/t14-,20+,21-/m1/s1
InChIKey ROOZZSFGECGYSX-PUCZYUMASA-N
Literature Reference Author R.H.WOUDENBERG,T.S.LIE,L.MAAT
Literature Reference Citation REC.TR.CH.P.-B.,112,557(1993)
Literature Reference DOI 10.1002/recl.19931121008
Molecular Weight 369.417 g/mol
Solvent CDCl3
Source File Reference UWTS2200