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EMETIN

View entire compound with spectra: 12 NMR, and 6 MS (GC)

EMETIN
SpectraBase Compound ID ILdYTmpKYEE
InChI InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3
InChIKey AUVVAXYIELKVAI-UHFFFAOYSA-N
Mol Weight 480.6 g/mol
Molecular Formula C29H40N2O4
Exact Mass 480.298808 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GDrF7fbMwpM
Name EMETIN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H40N2O4
InChI InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3
InChIKey AUVVAXYIELKVAI-UHFFFAOYSA-N
Literature Reference Author M.C.KOCH,M.M.PLAT,N.PREAUX,H.E.GOTTLIEB,E.W.HAGAMAN,F.M.SCHE LL,E.WENKERT
Literature Reference Citation J.ORG.CHEM.,40,2836(1975)
Literature Reference DOI 10.1021/jo00907a030
Molecular Weight 480.648 g/mol
Solvent CDCl3
Source File Reference UNIW3246