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3-{2-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-5-methyl-1H-pyrrol-1-yl}propanoic Acid
SpectraBase Compound ID Dg3wVLiLktp
InChI InChI=1S/C17H16N2O4/c1-11-6-7-12(18(11)9-8-15(20)21)10-19-16(22)13-4-2-3-5-14(13)17(19)23/h2-7H,8-10H2,1H3,(H,20,21)
InChIKey CCIKJQBIJZQMMV-UHFFFAOYSA-N
Mol Weight 312.33 g/mol
Molecular Formula C17H16N2O4
Exact Mass 312.111007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 39MvJtZzwHa
Name 3-{2-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-5-methyl-1H-pyrrol-1-yl}propanoic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16N2O4
InChI InChI=1S/C17H16N2O4/c1-11-6-7-12(18(11)9-8-15(20)21)10-19-16(22)13-4-2-3-5-14(13)17(19)23/h2-7H,8-10H2,1H3,(H,20,21)
InChIKey CCIKJQBIJZQMMV-UHFFFAOYSA-N
Molecular Weight 312.325 g/mol
SMILES OC(CC[n]1c(CN2C(c3ccccc3C2=O)=O)ccc1C)=O
SPLASH splash10-0wp0-8945000000-7f354185bb6620e3265f
Source of Spectrum F4-42-2972-6h
Synonyms 3-[2-[(1,3-dioxo-2-isoindolyl)methyl]-5-methyl-1-pyrrolyl]propanoic acid 3-[2-[(1,3-dioxoisoindol-2-yl)methyl]-5-methylpyrrol-1-yl]propanoic acid 3-[2-[(1,3-dioxoisoindolin-2-yl)methyl]-5-methyl-pyrrol-1-yl]propanoic acid 3-[2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-methyl-pyrrol-1-yl]propanoic acid
Wiley ID 1674702