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2-[(1S)-1-benzyl-2-keto-2-(2-methylolpyrrol-1-yl)ethyl]isoindoline-1,3-quinone
SpectraBase Compound ID 6QZYxK9Ozam
InChI InChI=1S/C22H18N2O4/c25-14-16-9-6-12-23(16)22(28)19(13-15-7-2-1-3-8-15)24-20(26)17-10-4-5-11-18(17)21(24)27/h1-12,19,25H,13-14H2/t19-/m0/s1
InChIKey FLSHQBKIXVUISS-IBGZPJMESA-N
Mol Weight 374.4 g/mol
Molecular Formula C22H18N2O4
Exact Mass 374.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQNiGVaLXNY
Name 2-[(1S)-1-benzyl-2-keto-2-(2-methylolpyrrol-1-yl)ethyl]isoindoline-1,3-quinone
Alternate Name(s) 2-[(1S)-1-benzyl-2-[2-(hydroxymethyl)pyrrol-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione 2-[(2S)-1-[2-(hydroxymethyl)-1-pyrrolyl]-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione 2-[(2S)-1-[2-(hydroxymethyl)pyrrol-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]isoindole-1,3-dione 2-[(2S)-1-[2-(hydroxymethyl)pyrrol-1-yl]-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione 2-{(1S)-1-benzyl-2-[2-(hydroxymethyl)-1H-pyrrol-1-yl]-2-oxoethyl}-1H-isoindole-1,3(2H)-dione
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Formula C22H18N2O4
InChI InChI=1S/C22H18N2O4/c25-14-16-9-6-12-23(16)22(28)19(13-15-7-2-1-3-8-15)24-20(26)17-10-4-5-11-18(17)21(24)27/h1-12,19,25H,13-14H2/t19-/m0/s1
InChIKey FLSHQBKIXVUISS-IBGZPJMESA-N
Molecular Weight 374.396 g/mol
SMILES OCc1[n](C([C@@](N2C(c3ccccc3C2=O)=O)(Cc2ccccc2)[H])=O)ccc1
SPLASH splash10-0udi-0091000000-ebe1b0ca908046156963
Source of Spectrum B-46-1473-0
Wiley ID 1356722