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(2S,3R)-2-(1,3-dioxo-2-isoindolyl)-3-hydroxybutanoic acid
SpectraBase Compound ID DQHNYYFTf5N
InChI InChI=1S/C12H11NO5/c1-6(14)9(12(17)18)13-10(15)7-4-2-3-5-8(7)11(13)16/h2-6,9,14H,1H3,(H,17,18)/t6-,9+/m1/s1
InChIKey YDKPWVQMYIKVHO-MUWHJKNJSA-N
Mol Weight 249.22 g/mol
Molecular Formula C12H11NO5
Exact Mass 249.063722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID QAkcxER6W
Name (2S,3R)-2-(1,3-dioxo-2-isoindolyl)-3-hydroxybutanoic acid
CAS Registry Number 29588-90-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO5
InChI InChI=1S/C12H11NO5/c1-6(14)9(12(17)18)13-10(15)7-4-2-3-5-8(7)11(13)16/h2-6,9,14H,1H3,(H,17,18)/t6-,9+/m1/s1
InChIKey YDKPWVQMYIKVHO-MUWHJKNJSA-N
Molecular Weight 249.222 g/mol
SMILES OC([C@]([C@](O)(C)[H])(N1C(c2ccccc2C1=O)=O)[H])=O
SPLASH splash10-0udl-9500000000-79d34c89ebfc30ab6737
Source of Spectrum KO-2-217-4
Synonyms (2S,3R)-2-(1,3-dioxoisoindol-2-yl)-3-hydroxybutanoic acid (2S,3R)-2-(1,3-dioxoisoindolin-2-yl)-3-hydroxy-butanoic acid (2S,3R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-oxidanyl-butanoic acid (2S,3R)-3-hydroxy-2-phthalimido-butyric acid
Wiley ID 1252040