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(E)-1-[(3,4-DIMETHOXYCINNAMOYL)-AMINO]-6-GUANIDINOHEXANE-MESYLATE
SpectraBase Compound ID aN33qSBYH7
InChI InChI=1S/C18H28N4O3.CH4O3S/c1-24-15-9-7-14(13-16(15)25-2)8-10-17(23)21-11-5-3-4-6-12-22-18(19)20;1-5(2,3)4/h7-10,13H,3-6,11-12H2,1-2H3,(H,21,23)(H4,19,20,22);1H3,(H,2,3,4)/b10-8+;
InChIKey WLGLVFLGPMKWPD-VRTOBVRTSA-N
Mol Weight 444.55 g/mol
Molecular Formula C19H32N4O6S
Exact Mass 444.204256 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HVPq8FJCzGx
Name (E)-1-[(3,4-DIMETHOXYCINNAMOYL)-AMINO]-6-GUANIDINOHEXANE-MESYLATE
Compound Number 10E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H32N4O6S
InChI InChI=1S/C18H28N4O3.CH4O3S/c1-24-15-9-7-14(13-16(15)25-2)8-10-17(23)21-11-5-3-4-6-12-22-18(19)20;1-5(2,3)4/h7-10,13H,3-6,11-12H2,1-2H3,(H,21,23)(H4,19,20,22);1H3,(H,2,3,4)/b10-8+;
InChIKey WLGLVFLGPMKWPD-VRTOBVRTSA-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 444.546 g/mol
Sample ID 52830
Solvent Unknown