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

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1H-Pyrrole-3-propanoic acid, 5-[[1,5-dihydro-4-(1-hydroxyethyl)-3-methyl-5-oxo-2H-pyrrol-2-ylidene]methyl]-2-[(1,1-dimethylethoxy)carbonyl]-4-methyl-, methyl ester
SpectraBase Compound ID HIMx23QtMHz
InChI InChI=1S/C22H30N2O6/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/h10,13,23,25H,8-9H2,1-7H3,(H,24,27)/b16-10-
InChIKey VVKWXDBONKRDEV-YBEGLDIGSA-N
Mol Weight 418.49 g/mol
Molecular Formula C22H30N2O6
Exact Mass 418.210387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Pku4jfVwXL
Name 1H-Pyrrole-3-propanoic acid, 5-[[1,5-dihydro-4-(1-hydroxyethyl)-3-methyl-5-oxo-2H-pyrrol-2-ylidene]methyl]-2-[(1,1-dimethylethoxy)carbonyl]-4-methyl-, methyl ester
CAS Registry Number 71190-60-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30N2O6
InChI InChI=1S/C22H30N2O6/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/h10,13,23,25H,8-9H2,1-7H3,(H,24,27)/b16-10-
InChIKey VVKWXDBONKRDEV-YBEGLDIGSA-N
Molecular Weight 418.490 g/mol
SMILES [nH]1c(c(c(c1\C=C/1C(=C(C(O)C)C(N1)=O)C)C)CCC(=O)OC)C(OC(C)(C)C)=O
SPLASH splash10-03dl-0019200000-2d302967b9d9fdf76463
Source of Spectrum K-112-2250-0
Synonyms Methylester of 5'-tert-butoxycarbonyl-1,5-dihydro-4-(1-hydroxyethyl)-3,3'-dimethyl-5-oxo-2,2'-pyrromethan-4-propionic acid tert-Butyl 5-{(Z)-[4-(1-hydroxyethyl)-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 1377162