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(Z)-9-FORMYL-3-(2-HYDROXYETHYL)-8-[2-(METHOXYCARBONYL)-ETHYL]-2,7-DIMETHYLDIPYRRIN-1(10H)-ONE
SpectraBase Compound ID 6tBKYb41STE
InChI InChI=1S/C18H22N2O5/c1-10-12(4-5-17(23)25-3)16(9-22)19-14(10)8-15-13(6-7-21)11(2)18(24)20-15/h8-9,19,21H,4-7H2,1-3H3,(H,20,24)/b15-8-
InChIKey VUWIDFWDBOUZQS-NVNXTCNLSA-N
Mol Weight 346.38 g/mol
Molecular Formula C18H22N2O5
Exact Mass 346.152872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LIKOpwdYeHe
Name 1H-Pyrrole-3-propanoic acid, 5-[[1,5-dihydro-3-(2-hydroxyethyl)-4-methyl-5-oxo-2H-pyrrol-2-ylidene]methyl]-2-formyl-4-methyl-, methyl ester, (Z)-
CAS Registry Number 125090-47-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N2O5
InChI InChI=1S/C18H22N2O5/c1-10-12(4-5-17(23)25-3)16(9-22)19-14(10)8-15-13(6-7-21)11(2)18(24)20-15/h8-9,19,21H,4-7H2,1-3H3,(H,20,24)/b15-8-
InChIKey VUWIDFWDBOUZQS-NVNXTCNLSA-N
Molecular Weight 346.383 g/mol
SMILES N1C(C(=C(CCO)\C1=C/c1[nH]c(c(c1C)CCC(=O)OC)C=O)C)=O
SPLASH splash10-0007-0948000000-6310294e50d00e0a4081
Source of Spectrum H-72-524-10
Synonyms (Z)-9-Formyl-3-(2-hydroxyethyl)-8-[2-(methoxycarbonyl}ethyl]-2,7-dimethyldipyrrin-1(10H)-one Methyl 3-(2-formyl-5-{(Z)-[3-(2-hydroxyethyl)-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoate
Wiley ID 1339178