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(E)-1-[(3,4-DIMETHOXYCINNAMOYL)-AMINO]-4-GUANIDINOBUTANE-MESYLATE

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(E)-1-[(3,4-DIMETHOXYCINNAMOYL)-AMINO]-4-GUANIDINOBUTANE-MESYLATE
SpectraBase Compound ID J4tQjOawO9Q
InChI InChI=1S/C16H24N4O3.CH4O3S/c1-22-13-7-5-12(11-14(13)23-2)6-8-15(21)19-9-3-4-10-20-16(17)18;1-5(2,3)4/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,21)(H4,17,18,20);1H3,(H,2,3,4)/b8-6+;
InChIKey NIFBTVBPPZHYPG-WVLIHFOGSA-N
Mol Weight 416.49 g/mol
Molecular Formula C17H28N4O6S
Exact Mass 416.172956 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8uHrKykz3S9
Name (E)-1-[(3,4-DIMETHOXYCINNAMOYL)-AMINO]-4-GUANIDINOBUTANE-MESYLATE
Compound Number 10A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H28N4O6S
InChI InChI=1S/C16H24N4O3.CH4O3S/c1-22-13-7-5-12(11-14(13)23-2)6-8-15(21)19-9-3-4-10-20-16(17)18;1-5(2,3)4/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,21)(H4,17,18,20);1H3,(H,2,3,4)/b8-6+;
InChIKey NIFBTVBPPZHYPG-WVLIHFOGSA-N
Literature Reference Author M.CARMIGNANI,A.R.VOLPE,B.BOTTA,R.ESPINAL,S.C.D.BONNEVAUX,C.D .L.M.BOTTA,F.CORELLI
Literature Reference Citation J.MED.CHEM.,44,2950(2001)
Literature Reference DOI 10.1021/jm001017v
Molecular Weight 416.493 g/mol
Sample ID 52826
Solvent Unknown