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3-(N-(2-Decyloxy-4-(hexylamino)phenyl)sulfamoyl)thiophene-2-carboxylic acid methyl ester
SpectraBase Compound ID 5cieULI6JoJ
InChI InChI=1S/C28H44N2O5S2/c1-4-6-8-10-11-12-13-15-20-35-25-22-23(29-19-14-9-7-5-2)16-17-24(25)30-37(32,33)26-18-21-36-27(26)28(31)34-3/h16-18,21-22,29-30H,4-15,19-20H2,1-3H3
InChIKey STPAJZLQGPJWTL-UHFFFAOYSA-N
Mol Weight 552.8 g/mol
Molecular Formula C28H44N2O5S2
Exact Mass 552.269165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 84Aq3d8QNwb
Name 3-(N-(2-Decyloxy-4-(hexylamino)phenyl)sulfamoyl)thiophene-2-carboxylic acid methyl ester
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Formula C28H44N2O5S2
InChI InChI=1S/C28H44N2O5S2/c1-4-6-8-10-11-12-13-15-20-35-25-22-23(29-19-14-9-7-5-2)16-17-24(25)30-37(32,33)26-18-21-36-27(26)28(31)34-3/h16-18,21-22,29-30H,4-15,19-20H2,1-3H3
InChIKey STPAJZLQGPJWTL-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 552.789 g/mol
Reported Formula C28H44N2O5S2
SMILES N(c1c(cc(cc1)NCCCCCC)OCCCCCCCCCC)S(c1c(scc1)C(OC)=O)(=O)=O
SPLASH splash10-0002-2619000000-2acbeca4cefec1ff8f3c
Source of Spectrum WO2012168345A1
Wiley ID 1846953