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3-(Ethoxycarbonyl)-5-hexyl-2-(2'-thienyl)-pyrrole
SpectraBase Compound ID 47Gl8WiTGk7
InChI InChI=1S/C17H23NO2S/c1-3-5-6-7-9-13-12-14(17(19)20-4-2)16(18-13)15-10-8-11-21-15/h8,10-12,18H,3-7,9H2,1-2H3
InChIKey XFYLLOFOCQTCSM-UHFFFAOYSA-N
Mol Weight 305.44 g/mol
Molecular Formula C17H23NO2S
Exact Mass 305.14495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DaiOt2ZBRDt
Name 3-(Ethoxycarbonyl)-5-hexyl-2-(2'-thienyl)-pyrrole
Alternate Name(s) Ethyl 5-hexyl-2-(thiophen-2-yl)-1H-pyrrole-3-carboxylate 5-Hexyl-2-thiophen-2-yl-1H-pyrrole-3-carboxylic acid ethyl ester Ethyl 5-hexyl-2-(2-thienyl)-1H-pyrrole-3-carboxylate Ethyl 5-hexyl-2-thiophen-2-yl-1H-pyrrole-3-carboxylate
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Formula C17H23NO2S
InChI InChI=1S/C17H23NO2S/c1-3-5-6-7-9-13-12-14(17(19)20-4-2)16(18-13)15-10-8-11-21-15/h8,10-12,18H,3-7,9H2,1-2H3
InChIKey XFYLLOFOCQTCSM-UHFFFAOYSA-N
Molecular Weight 305.436 g/mol
SMILES [nH]1c(cc(c1-c1sccc1)C(=O)OCC)CCCCCC
SPLASH splash10-0f89-0494000000-2e197393530805026c8e
Source of Spectrum F5-1-4028-2e
Wiley ID 1731575