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1H-Pyrrole-3-propanoic acid, 5-[(4-ethenyl-2,5-dihydro-3-methyl-5-oxo-1H-pyrrol-2-yl)methyl]-2-for myl-4-methyl-, methyl ester, (.+-.)-
SpectraBase Compound ID BfYBaMtGW9n
InChI InChI=1S/C18H22N2O4/c1-5-12-10(2)15(20-18(12)23)8-14-11(3)13(16(9-21)19-14)6-7-17(22)24-4/h5,9,15,19H,1,6-8H2,2-4H3,(H,20,23)
InChIKey SPCMJTAJUAWDEU-UHFFFAOYSA-N
Mol Weight 330.38 g/mol
Molecular Formula C18H22N2O4
Exact Mass 330.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A8HprQdjtZj
Name 1H-Pyrrole-3-propanoic acid, 5-[(4-ethenyl-2,5-dihydro-3-methyl-5-oxo-1H-pyrrol-2-yl)methyl]-2-for myl-4-methyl-, methyl ester, (.+-.)-
CAS Registry Number 66385-50-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N2O4
InChI InChI=1S/C18H22N2O4/c1-5-12-10(2)15(20-18(12)23)8-14-11(3)13(16(9-21)19-14)6-7-17(22)24-4/h5,9,15,19H,1,6-8H2,2-4H3,(H,20,23)
InChIKey SPCMJTAJUAWDEU-UHFFFAOYSA-N
Molecular Weight 330.384 g/mol
SMILES [nH]1c(c(c(c1CC1C(=C(C(N1)=O)C=C)C)C)CCC(=O)OC)C=O
SPLASH splash10-000i-0920000000-2772bf98b0cae01d17df
Source of Spectrum K-111-499-0
Synonyms Methyl 3-{2-formyl-4-methyl-5-[(3-methyl-5-oxo-4-vinyl-2,5-dihydro-1H-pyrrol-2-yl)methyl]-1H-pyrrol-3-yl}propanoate Methyl ester of 5'-formyl-2,5-dihydro-3,3'-dimethyl-5-oxo-4-vinyl-2,2'-dipyrrylmethan-4'-propionic acid
Wiley ID 1327837