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(E)-N-(2-Methylpropyl)-7-(2,2':5,2''-terthien-5-yl)-2-hepten-6-ynamide
SpectraBase Compound ID BBl0DxzviWi
InChI InChI=1S/C23H23NOS3/c1-17(2)16-24-23(25)10-6-4-3-5-8-18-11-12-21(27-18)22-14-13-20(28-22)19-9-7-15-26-19/h6-7,9-15,17H,3-4,16H2,1-2H3,(H,24,25)/b10-6+
InChIKey PBZLNBAOLHNEMP-UXBLZVDNSA-N
Mol Weight 425.62 g/mol
Molecular Formula C23H23NOS3
Exact Mass 425.094178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HP7IVlRKbIe
Name (E)-N-(2-Methylpropyl)-7-(2,2':5,2''-terthien-5-yl)-2-hepten-6-ynamide
Alternate Name(s) (2E)-N-(2-methylpropyl)-7-{5-[5-(thiophen-2-yl)thiophen-2-yl]thiophen-2-yl}hept-2-en-6-ynamide (E)-N-(2-methylpropyl)-7-(2,2':5,2''-terthien-5-yl)-2-hepten-6-ynamide
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Formula C23H23NOS3
InChI InChI=1S/C23H23NOS3/c1-17(2)16-24-23(25)10-6-4-3-5-8-18-11-12-21(27-18)22-14-13-20(28-22)19-9-7-15-26-19/h6-7,9-15,17H,3-4,16H2,1-2H3,(H,24,25)/b10-6+
InChIKey PBZLNBAOLHNEMP-UXBLZVDNSA-N
Molecular Weight 425.623 g/mol
SMILES N(C(\C=C\CCC#Cc1sc(-c2sc(-c3sccc3)cc2)cc1)=O)CC(C)C
SPLASH splash10-06rw-9750100000-b431e1387ebb8ba2ed7a
Source of Spectrum F-47-8458-3
Wiley ID 1379636