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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 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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D98rknotUHO
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
CAS Registry Number 71189-87-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 [nH]1c(c(c(c1CC1C(=C(C(O)C)C(N1)=O)C)C)CCC(=O)OC)C(OC(C)(C)C)=O
SPLASH splash10-00di-0091000000-8f8764d442866f8d9f8c
Source of Spectrum K-112-2252-0
Synonyms Methyl ester of 5-tert-butoxycarbonyl-2,5-dihydro-4-(1-hydroxyethyl)-3,3'-dimethyl-5-oxo-2,2'-dipyrrylmethan-4-propionic acid tert-Butyl 5-{[4-(1-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 1377929