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1H-Pyrrole-3-propanoic acid, 5-[[2,5-dihydro-4-(1-hydroxyethyl)-3-methyl-5-oxo-1H-pyrrol-2-yl]methyl]-2-[(1,1-dimethylethoxy)carbonyl]-4-methyl-, methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1H-Pyrrole-3-propanoic acid, 5-[[2,5-dihydro-4-(1-hydroxyethyl)-3-methyl-5-oxo-1H-pyrrol-2-yl]methyl]-2-[(1,1-dimethylethoxy)carbonyl]-4-methyl-, methyl ester
SpectraBase Compound ID 1GtnMRSRh0K
InChI InChI=1S/C22H32N2O6/c1-11-14(8-9-17(26)29-7)19(21(28)30-22(4,5)6)23-15(11)10-16-12(2)18(13(3)25)20(27)24-16/h13,16,23,25H,8-10H2,1-7H3,(H,24,27)
InChIKey PZVYRDBBKASUGO-UHFFFAOYSA-N
Mol Weight 420.5 g/mol
Molecular Formula C22H32N2O6
Exact Mass 420.226037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CYwedDvlIJP
Name 1H-Pyrrole-3-propanoic acid, 5-[[2,5-dihydro-4-(1-hydroxyethyl)-3-methyl-5-oxo-1H-pyrrol-2-yl]methyl]-2-[(1,1-dimethylethoxy)carbonyl]-4-methyl-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.226036752 u
Formula C22H32N2O6
InChI InChI=1S/C22H32N2O6/c1-11-14(8-9-17(26)29-7)19(21(28)30-22(4,5)6)23-15(11)10-16-12(2)18(13(3)25)20(27)24-16/h13,16,23,25H,8-10H2,1-7H3,(H,24,27)
InChIKey PZVYRDBBKASUGO-UHFFFAOYSA-N
Molecular Weight 420.506 g/mol
SMILES C=1(NC(CC2NC(=O)C(=C2C)C(O)C)=C(C1CCC(=O)OC)C)C(OC(C)(C)C)=O