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(E)-(6-(3-(3,4,5-Trimethoxyphenyl)prop-2-enamido)hexyl)-triphenylphosphonium Methanesulfonate
SpectraBase Compound ID 29ebYu6rl3T
InChI InChI=1S/C36H40NO4P.CH4O3S/c1-39-33-27-29(28-34(40-2)36(33)41-3)23-24-35(38)37-25-15-4-5-16-26-42(30-17-9-6-10-18-30,31-19-11-7-12-20-31)32-21-13-8-14-22-32;1-5(2,3)4/h6-14,17-24,27-28H,4-5,15-16,25-26H2,1-3H3;1H3,(H,2,3,4)/b24-23+;
InChIKey QTIZDNRJKGOPCV-XMXXDQCKSA-N
Mol Weight 677.79 g/mol
Molecular Formula C37H44NO7PS
Exact Mass 677.257611 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C0Nn2z2gkyd
Name (E)-(6-(3-(3,4,5-Trimethoxyphenyl)prop-2-enamido)hexyl)-triphenylphosphonium Methanesulfonate
Appearance Solid
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Formula C37H44NO7PS
InChI InChI=1S/C36H40NO4P.CH4O3S/c1-39-33-27-29(28-34(40-2)36(33)41-3)23-24-35(38)37-25-15-4-5-16-26-42(30-17-9-6-10-18-30,31-19-11-7-12-20-31)32-21-13-8-14-22-32;1-5(2,3)4/h6-14,17-24,27-28H,4-5,15-16,25-26H2,1-3H3;1H3,(H,2,3,4)/b24-23+;
InChIKey QTIZDNRJKGOPCV-XMXXDQCKSA-N
Instrument Name Varian 320-MS
Ionization Type EI
Literature Reference DOI 10.1021/acs.jmedchem.7b00741
Molecular Weight 677.793 g/mol
SMILES N(C(\C=C\c1cc(c(OC)c(c1)OC)OC)=O)CCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.CS([O-])(=O)=O
SPLASH splash10-03e9-0590000000-758592908e99b18b179b
Source of Spectrum AF-60-7092-17
Wiley ID 1870118