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1H-Pyrrole-3-propanoic acid, 2-[(1,1-dimethylethoxy)carbonyl]-5-[(3,3-dimethyl-5-oxo-2-pyrrolidinylidene)methyl]-4-methyl-, (Z)-
SpectraBase Compound ID 7f06T0kOHtV
InChI InChI=1S/C20H28N2O5/c1-11-12(7-8-16(24)25)17(18(26)27-19(2,3)4)21-13(11)9-14-20(5,6)10-15(23)22-14/h9,21H,7-8,10H2,1-6H3,(H,22,23)(H,24,25)/b14-9-
InChIKey SZACZYKPICCPTK-ZROIWOOFSA-N
Mol Weight 376.45 g/mol
Molecular Formula C20H28N2O5
Exact Mass 376.199822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GdoKsycnLvZ
Name 1H-Pyrrole-3-propanoic acid, 2-[(1,1-dimethylethoxy)carbonyl]-5-[(3,3-dimethyl-5-oxo-2-pyrrolidinylidene)methyl]-4-methyl-, (Z)-
CAS Registry Number 133561-64-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28N2O5
InChI InChI=1S/C20H28N2O5/c1-11-12(7-8-16(24)25)17(18(26)27-19(2,3)4)21-13(11)9-14-20(5,6)10-15(23)22-14/h9,21H,7-8,10H2,1-6H3,(H,22,23)(H,24,25)/b14-9-
InChIKey SZACZYKPICCPTK-ZROIWOOFSA-N
Molecular Weight 376.453 g/mol
SMILES [nH]1c(c(CCC(=O)O)c(C)c1\C=C/1NC(CC1(C)C)=O)C(OC(C)(C)C)=O
SPLASH splash10-0229-0079000000-dd4c98d17dde676fd512
Source of Spectrum AH-121-895-0
Synonyms (Z)-9-t-butoxycarbonyl-2,3-dihydro-3,3,7-trimethyldipyrrin-1-one-8-propanoic acid 3-{2-(tert-butoxycarbonyl)-5-[(Z)-(3,3-dimethyl-5-oxo-2-pyrrolidinylidene)methyl]-4-methyl-1H-pyrrol-3-yl}propanoic acid 3-[5-[(Z)-(3,3-dimethyl-5-oxo-2-pyrrolidinylidene)methyl]-4-methyl-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-1H-pyrrol-3-yl]propanoic acid 3-[5-[(Z)-(3,3-dimethyl-5-oxopyrrolidin-2-ylidene)methyl]-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-3-yl]propanoic acid 3-[2-tert-butoxycarbonyl-5-[(Z)-(3,3-dimethyl-5-oxo-pyrrolidin-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid 3-[5-[(Z)-(3,3-dimethyl-5-oxidanylidene-pyrrolidin-2-ylidene)methyl]-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-3-yl]propanoic acid
Wiley ID 1357698