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1H-Pyrrole-3-propanoic acid, 2-[(1,1-dimethylethoxy)carbonyl]-5-[(4-ethenyl-2,5-dihydro-3-methyl-5 -oxo-1H-pyrrol-2-yl)methyl]-4-methyl-, methyl ester, (.+-.)-
SpectraBase Compound ID ttFCwUTHiu
InChI InChI=1S/C22H30N2O5/c1-8-14-12(2)17(24-20(14)26)11-16-13(3)15(9-10-18(25)28-7)19(23-16)21(27)29-22(4,5)6/h8,17,23H,1,9-11H2,2-7H3,(H,24,26)
InChIKey CTCVPEAMBMHFSG-UHFFFAOYSA-N
Mol Weight 402.49 g/mol
Molecular Formula C22H30N2O5
Exact Mass 402.215472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 39xQrGqsZwj
Name 1H-Pyrrole-3-propanoic acid, 2-[(1,1-dimethylethoxy)carbonyl]-5-[(4-ethenyl-2,5-dihydro-3-methyl-5 -oxo-1H-pyrrol-2-yl)methyl]-4-methyl-, methyl ester, (.+-.)-
Alternate Name(s) Methyl ester of 5'-tertbutoxypcarbonyl-2,5-dihydro-3,3'-dimethyl-5-oxo-4-vinyl-2,2'-dipyrrylmethan-4'-propionic acid tert-Butyl 3-(3-methoxy-3-oxopropyl)-4-methyl-5-[(3-methyl-5-oxo-4-vinyl-2,5-dihydro-1H-pyrrol-2-yl)methyl]-1H-pyrrole-2-carboxylate
CAS Registry Number 66385-49-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30N2O5
InChI InChI=1S/C22H30N2O5/c1-8-14-12(2)17(24-20(14)26)11-16-13(3)15(9-10-18(25)28-7)19(23-16)21(27)29-22(4,5)6/h8,17,23H,1,9-11H2,2-7H3,(H,24,26)
InChIKey CTCVPEAMBMHFSG-UHFFFAOYSA-N
Molecular Weight 402.491 g/mol
SMILES [nH]1c(c(c(c1CC1C(=C(C(N1)=O)C=C)C)C)CCC(=O)OC)C(OC(C)(C)C)=O
SPLASH splash10-00e9-0090000000-b2a90b5025935a712ee0
Source of Spectrum K-111-499-0
Wiley ID 1370383