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2,5-Bis(5-ethoxycarbonyl-3-ethyl-4-methyl-2-pyrrolylmethyl)thiophene
SpectraBase Compound ID GLAcS8CT9xJ
InChI InChI=1S/C26H34N2O4S/c1-7-19-15(5)23(25(29)31-9-3)27-21(19)13-17-11-12-18(33-17)14-22-20(8-2)16(6)24(28-22)26(30)32-10-4/h11-12,27-28H,7-10,13-14H2,1-6H3
InChIKey AWVWPYXQWGUNRE-UHFFFAOYSA-N
Mol Weight 470.6 g/mol
Molecular Formula C26H34N2O4S
Exact Mass 470.223929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9lbAzxNxJ2G
Name 2,5-Bis(5-ethoxycarbonyl-3-ethyl-4-methyl-2-pyrrolylmethyl)thiophene
Alternate Name(s) ethyl 5-[(5-{[5-(ethoxycarbonyl)-3-ethyl-4-methyl-1H-pyrrol-2-yl]methyl}-2-thienyl)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C26H34N2O4S
InChI InChI=1S/C26H34N2O4S/c1-7-19-15(5)23(25(29)31-9-3)27-21(19)13-17-11-12-18(33-17)14-22-20(8-2)16(6)24(28-22)26(30)32-10-4/h11-12,27-28H,7-10,13-14H2,1-6H3
InChIKey AWVWPYXQWGUNRE-UHFFFAOYSA-N
Molecular Weight 470.628 g/mol
SMILES [nH]1c(c(c(c1Cc1ccc(Cc2[nH]c(c(c2CC)C)C(=O)OCC)s1)CC)C)C(=O)OCC
SPLASH splash10-00di-0000900000-d47a8030c90211610528
Source of Spectrum F-69-6089-8
Wiley ID 1595595