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(2S,3S)-2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-methyl-succinic acid
SpectraBase Compound ID DFTO2iB8Nfp
InChI InChI=1S/C13H11NO6/c1-6(12(17)18)9(13(19)20)14-10(15)7-4-2-3-5-8(7)11(14)16/h2-6,9H,1H3,(H,17,18)(H,19,20)/t6-,9-/m0/s1
InChIKey GXFRUDUYUPJZSQ-RCOVLWMOSA-N
Mol Weight 277.23 g/mol
Molecular Formula C13H11NO6
Exact Mass 277.058637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID gObYmDIaul
Name (2S,3S)-2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-methyl-succinic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11NO6
InChI InChI=1S/C13H11NO6/c1-6(12(17)18)9(13(19)20)14-10(15)7-4-2-3-5-8(7)11(14)16/h2-6,9H,1H3,(H,17,18)(H,19,20)/t6-,9-/m0/s1
InChIKey GXFRUDUYUPJZSQ-RCOVLWMOSA-N
Molecular Weight 277.232 g/mol
SMILES OC([C@]([C@@](C(=O)O)(N1C(c2ccccc2C1=O)=O)[H])(C)[H])=O
SPLASH splash10-000i-2900000000-1b54bfc7b7916608eb06
Source of Spectrum F-51-2375-15
Synonyms (+-)-threo-N-Phthaloyo-3-methylaspartic acid (3S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanedioic acid
Wiley ID 791002