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(E)-N-[4-[2,5-bis(1,3-dithian-2-yl)-1-pyrrolyl]butyl]-3-(4-hydroxy-3-methoxyphenyl)-2-propenamide
SpectraBase Compound ID H2sbuIERYL1
InChI InChI=1S/C26H34N2O3S4/c1-31-23-18-19(6-10-22(23)29)7-11-24(30)27-12-2-3-13-28-20(25-32-14-4-15-33-25)8-9-21(28)26-34-16-5-17-35-26/h6-11,18,25-26,29H,2-5,12-17H2,1H3,(H,27,30)/b11-7+
InChIKey QUNCGNFRWRCSOA-YRNVUSSQSA-N
Mol Weight 550.8 g/mol
Molecular Formula C26H34N2O3S4
Exact Mass 550.145228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11lItyyYhE
Name (E)-N-[4-[2,5-bis(1,3-dithian-2-yl)-1-pyrrolyl]butyl]-3-(4-hydroxy-3-methoxyphenyl)-2-propenamide
Alternate Name(s) (E)-N-[4-[2,5-bis(1,3-dithian-2-yl)pyrrol-1-yl]butyl]-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide (E)-N-[4-[2,5-bis(1,3-dithian-2-yl)pyrrol-1-yl]butyl]-3-(4-hydroxy-3-methoxy-phenyl)acrylamide (E)-N-[4-[2,5-bis(1,3-dithian-2-yl)pyrrol-1-yl]butyl]-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enamide
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Formula C26H34N2O3S4
InChI InChI=1S/C26H34N2O3S4/c1-31-23-18-19(6-10-22(23)29)7-11-24(30)27-12-2-3-13-28-20(25-32-14-4-15-33-25)8-9-21(28)26-34-16-5-17-35-26/h6-11,18,25-26,29H,2-5,12-17H2,1H3,(H,27,30)/b11-7+
InChIKey QUNCGNFRWRCSOA-YRNVUSSQSA-N
Molecular Weight 550.809 g/mol
SMILES Oc1c(cc(\C=C\C(=O)NCCCC[n]2c(ccc2C2SCCCS2)C2SCCCS2)cc1)OC
SPLASH splash10-0ue9-0580950000-8fbf0b1d9f0cbe32fe4a
Source of Spectrum O1-65-1218-4
Wiley ID 1593055