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Methyl ester of 5'-tert-butoxycarbonyl-2,5-dihydro-4-(2hydroxyethyl)-3,3'-dimethyl-5-oxo-2,2'-dipyrrylmethan-4'-propionic acid
SpectraBase Compound ID J5mL6KC4qlC
InChI InChI=1S/C22H32N2O6/c1-12-14(7-8-18(26)29-6)19(21(28)30-22(3,4)5)23-16(12)11-17-13(2)15(9-10-25)20(27)24-17/h17,23,25H,7-11H2,1-6H3,(H,24,27)
InChIKey LHBMEFNYXZMRRA-UHFFFAOYSA-N
Mol Weight 420.5 g/mol
Molecular Formula C22H32N2O6
Exact Mass 420.226037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8rOaUa0eOeC
Name Methyl ester of 5'-tert-butoxycarbonyl-2,5-dihydro-4-(2hydroxyethyl)-3,3'-dimethyl-5-oxo-2,2'-dipyrrylmethan-4'-propionic acid
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Formula C22H32N2O6
InChI InChI=1S/C22H32N2O6/c1-12-14(7-8-18(26)29-6)19(21(28)30-22(3,4)5)23-16(12)11-17-13(2)15(9-10-25)20(27)24-17/h17,23,25H,7-11H2,1-6H3,(H,24,27)
InChIKey LHBMEFNYXZMRRA-UHFFFAOYSA-N
Molecular Weight 420.506 g/mol
SMILES [nH]1c(c(c(c1CC1C(=C(CCO)C(N1)=O)C)C)CCC(=O)OC)C(OC(C)(C)C)=O
SPLASH splash10-00di-0090000000-d2cc689d6988d40f8b7b
Source of Spectrum K-111-59-0
Synonyms tert-Butyl 5-{[4-(2-hydroxyethyl)-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate
Wiley ID 1377928