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AGLAITHIODULINE;N-[N'-(E)-(3-METHYLTHIO-2-PROPENOYL)-4-AMINOBUTYL]-PHENYLACETAMIDE
SpectraBase Compound ID LmLQcWsWZRJ
InChI InChI=1S/C16H22N2O2S/c1-21-12-9-15(19)17-10-5-6-11-18-16(20)13-14-7-3-2-4-8-14/h2-4,7-9,12H,5-6,10-11,13H2,1H3,(H,17,19)(H,18,20)/b12-9+
InChIKey HHDWASZUEPJCND-FMIVXFBMSA-N
Mol Weight 306.42 g/mol
Molecular Formula C16H22N2O2S
Exact Mass 306.140199 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9FVBUWQj1rx
Name LEPTAGLIN;(E)-N(1)-[3-(METHYLTHIO)-PROPENOYL]-N(2)-(PHENYLACETYL)-1,4-BUTANEDIAMIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H22N2O2S
InChI InChI=1S/C16H22N2O2S/c1-21-12-9-15(19)17-10-5-6-11-18-16(20)13-14-7-3-2-4-8-14/h2-4,7-9,12H,5-6,10-11,13H2,1H3,(H,17,19)(H,18,20)/b12-9+
InChIKey HHDWASZUEPJCND-FMIVXFBMSA-N
Literature Reference Author H.GREGER,T.PACHER,S.VAJRODAYA,M.BACHER,O.HOFER
Literature Reference Citation J.NAT.PROD.,63,616(2000)
Literature Reference DOI 10.1021/np990542y
Molecular Weight 306.423 g/mol
Solvent CD3OD
Source File Reference UWCS25256