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3-Thioxotabersonine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-Thioxotabersonine
SpectraBase Compound ID 7IaLiLZfFmZ
InChI InChI=1S/C21H22N2O2S/c1-3-20-9-8-16(26)23-11-10-21(19(20)23)14-6-4-5-7-15(14)22-17(21)13(12-20)18(24)25-2/h4-9,19,22H,3,10-12H2,1-2H3/t19-,20-,21-/m0/s1
InChIKey IFIDSSUWGBZCSV-ACRUOGEOSA-N
Mol Weight 366.48 g/mol
Molecular Formula C21H22N2O2S
Exact Mass 366.140199 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BcGdticmZl5
Name 3-THIOXO-TABERSONINE
Compound Number 40
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22N2O2S
InChI InChI=1S/C21H22N2O2S/c1-3-20-9-8-16(26)23-11-10-21(19(20)23)14-6-4-5-7-15(14)22-17(21)13(12-20)18(24)25-2/h4-9,19,22H,3,10-12H2,1-2H3/t19-,20-,21-/m0/s1
InChIKey IFIDSSUWGBZCSV-ACRUOGEOSA-N
Literature Reference Author G.KALAUS,I.GREINER,M.KAJTAR-PEREDY,J.BRLIK,L.SZABO,C.SZANTAY
Literature Reference Citation J.ORG.CHEM.,58,1434(1993)
Literature Reference DOI 10.1021/jo00058a025
Molecular Weight 366.478 g/mol
Solvent CDCl3
Source File Reference UWCS20123