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3-(2,3-diketoindolin-1-yl)propionic acid methyl ester
SpectraBase Compound ID 67ppva6ePa2
InChI InChI=1S/C12H11NO4/c1-17-10(14)6-7-13-9-5-3-2-4-8(9)11(15)12(13)16/h2-5H,6-7H2,1H3
InChIKey PEOGCYRFQYCFRN-UHFFFAOYSA-N
Mol Weight 233.22 g/mol
Molecular Formula C12H11NO4
Exact Mass 233.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JUxjmO1wTqm
Name 3-(2,3-diketoindolin-1-yl)propionic acid methyl ester
Alternate Name(s) 3-(2,3-dioxo-1-indolyl)propanoic acid methyl ester Methyl 3-(2,3-dioxoindol-1-yl)propanoate Methyl 3-(2,3-dioxoindolin-1-yl)propanoate Methyl 3-[2,3-bis(oxidanylidene)indol-1-yl]propanoate
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Formula C12H11NO4
InChI InChI=1S/C12H11NO4/c1-17-10(14)6-7-13-9-5-3-2-4-8(9)11(15)12(13)16/h2-5H,6-7H2,1H3
InChIKey PEOGCYRFQYCFRN-UHFFFAOYSA-N
Molecular Weight 233.223 g/mol
SMILES C1(N(c2c(C1=O)cccc2)CCC(=O)OC)=O
SPLASH splash10-0a6s-9200000000-346638c2ad9d46199cc1
Source of Spectrum E-51-1691-3
Wiley ID 1234787