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3-(1-Acetyl-1H-indol-3-yl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
SpectraBase Compound ID Ghc0oDd4cz7
InChI InChI=1S/C21H16N2O5/c1-12(24)22-11-13(14-6-4-5-9-17(14)22)10-18(21(27)28)23-19(25)15-7-2-3-8-16(15)20(23)26/h2-9,11,18H,10H2,1H3,(H,27,28)
InChIKey HOUIYOXCGNGVPB-UHFFFAOYSA-N
Mol Weight 376.37 g/mol
Molecular Formula C21H16N2O5
Exact Mass 376.105922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 10fLpC3L4Xi
Name 3-(1-Acetyl-1H-indol-3-yl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
CAS Registry Number 40681-47-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16N2O5
InChI InChI=1S/C21H16N2O5/c1-12(24)22-11-13(14-6-4-5-9-17(14)22)10-18(21(27)28)23-19(25)15-7-2-3-8-16(15)20(23)26/h2-9,11,18H,10H2,1H3,(H,27,28)
InChIKey HOUIYOXCGNGVPB-UHFFFAOYSA-N
Molecular Weight 376.368 g/mol
SMILES OC(C(Cc1c[n](c2ccccc12)C(C)=O)N1C(c2ccccc2C1=O)=O)=O
SPLASH splash10-0059-2922000000-4451d1a2030c75516fdc
Source of Spectrum W5-0-0-0
Synonyms 1H-Indole-3-propanoic acid, 1-acetyl-.alpha.-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, (S)- 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(1-ethanoylindol-3-yl)propanoic acid 3-(1-acetyl-3-indolyl)-2-(1,3-dioxo-2-isoindolyl)propanoic acid 3-(1-acetylindol-3-yl)-2-(1,3-dioxoisoindol-2-yl)propanoic acid 3-(1-acetylindol-3-yl)-2-(1,3-dioxoisoindolin-2-yl)propanoic acid 3-(1-acetylindol-3-yl)-2-phthalimido-propionic acid
Wiley ID 1357713