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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, (R)-
SpectraBase Compound ID 5TDFf9WIAzg
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)/t15-/m1/s1
InChIKey SPCMJTAJUAWDEU-OAHLLOKOSA-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 DaIwgLWxtIv
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, (R)-
CAS Registry Number 68330-92-7
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)/t15-/m1/s1
InChIKey SPCMJTAJUAWDEU-OAHLLOKOSA-N
Molecular Weight 330.384 g/mol
SMILES [nH]1c(c(c(c1C[C@@]1(C(=C(C(N1)=O)C=C)C)[H])C)CCC(=O)OC)C=O
SPLASH splash10-001i-0029000000-daae78428ccde0b3c494
Source of Spectrum C-100-5932-0
Synonyms (+)-(2R)-3,3'-Dimethyl-5'-formyl-4'-(2-methoxy carbonylethyl)-4-vinyl-5(2H)-2,2'-dipyrrylmethanone Methyl 3-(2-formyl-4-methyl-5-{[(2R)-3-methyl-5-oxo-4-vinyl-2,5-dihydro-1H-pyrrol-2-yl]methyl}-1H-pyrrol-3-yl)propanoate
Wiley ID 1327835