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3-(4-Chlorophenyl)-3-(6-phthalimidohexanoylamino)propionic acid
SpectraBase Compound ID HvV1TAvfq23
InChI InChI=1S/C23H23ClN2O5/c24-16-11-9-15(10-12-16)19(14-21(28)29)25-20(27)8-2-1-5-13-26-22(30)17-6-3-4-7-18(17)23(26)31/h3-4,6-7,9-12,19H,1-2,5,8,13-14H2,(H,25,27)(H,28,29)
InChIKey XLCBOTQHSAUUQI-UHFFFAOYSA-N
Mol Weight 442.9 g/mol
Molecular Formula C23H23ClN2O5
Exact Mass 442.12955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1uHXkFx4huQ
Name 3-(4-Chlorophenyl)-3-(6-phthalimidohexanoylamino)propionic acid
Alternate Name(s) 3-(4-Chlorophenyl)-3-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]propanoic acid 3-(4-Chlorophenyl)-3-[6-(1,3-dioxoisoindolin-2-yl)hexanoylamino]propanoic acid 3-(4-Chlorophenyl)-3-[[6-(1,3-dioxo-2-isoindolyl)-1-oxohexyl]amino]propanoic acid 3-[6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]-3-(4-chlorophenyl)propanoic acid
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Formula C23H23ClN2O5
InChI InChI=1S/C23H23ClN2O5/c24-16-11-9-15(10-12-16)19(14-21(28)29)25-20(27)8-2-1-5-13-26-22(30)17-6-3-4-7-18(17)23(26)31/h3-4,6-7,9-12,19H,1-2,5,8,13-14H2,(H,25,27)(H,28,29)
InChIKey XLCBOTQHSAUUQI-UHFFFAOYSA-N
Molecular Weight 442.899 g/mol
SMILES N(C(CC(=O)O)c1ccc(cc1)Cl)C(CCCCCN1C(c2ccccc2C1=O)=O)=O
SPLASH splash10-0ikd-3900000000-327891aeb418056f371c
Wiley ID 1465095