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1H-Pyrrole-3-propanoic acid, 5-[[4-[1-(acetyloxy)ethyl]-1,5-dihydro-3-methyl-5-oxo-2H-pyrrol-2-ylidene]methyl]-2-[(1,1-dimethylethoxy)carbonyl]-4-methyl-, methyl ester
SpectraBase Compound ID 1wrj8qY2dUb
InChI InChI=1S/C24H32N2O7/c1-12-16(9-10-19(28)31-8)21(23(30)33-24(5,6)7)25-17(12)11-18-13(2)20(22(29)26-18)14(3)32-15(4)27/h11,14,25H,9-10H2,1-8H3,(H,26,29)/b18-11-
InChIKey DWZXPVSTIUDOPR-WQRHYEAKSA-N
Mol Weight 460.5 g/mol
Molecular Formula C24H32N2O7
Exact Mass 460.220951 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BW9NZXxThj4
Name 1H-Pyrrole-3-propanoic acid, 5-[[4-[1-(acetyloxy)ethyl]-1,5-dihydro-3-methyl-5-oxo-2H-pyrrol-2-ylidene]methyl]-2-[(1,1-dimethylethoxy)carbonyl]-4-methyl-, methyl ester
CAS Registry Number 71190-61-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32N2O7
InChI InChI=1S/C24H32N2O7/c1-12-16(9-10-19(28)31-8)21(23(30)33-24(5,6)7)25-17(12)11-18-13(2)20(22(29)26-18)14(3)32-15(4)27/h11,14,25H,9-10H2,1-8H3,(H,26,29)/b18-11-
InChIKey DWZXPVSTIUDOPR-WQRHYEAKSA-N
Molecular Weight 460.527 g/mol
SMILES N1\C(=C/c2c(c(c([nH]2)C(OC(C)(C)C)=O)CCC(=O)OC)C)C(=C(C1=O)C(OC(=O)C)C)C
SPLASH splash10-0uec-0049500000-29bd294debb50c423f01
Source of Spectrum K-112-2251-0
Synonyms Methyl ester of 4-(1-acetoxyethyl)-5'-tert-butoxycarbonyl-1,5-dihydro-33'-dimethyl-5-oxo-2,2'-pyrromethan-4'-propionic acid tert-Butyl 5-((Z)-{4-[1-(acetyloxy)ethyl]-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene}methyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate
Wiley ID 1390464