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2-(3-ketoisoindolin-1-yl)acrylic acid ethyl ester
SpectraBase Compound ID DO2uOcBTMn2
InChI InChI=1S/C13H13NO3/c1-3-17-13(16)8(2)11-9-6-4-5-7-10(9)12(15)14-11/h4-7,11H,2-3H2,1H3,(H,14,15)
InChIKey HMZGVFHKHRLPPK-UHFFFAOYSA-N
Mol Weight 231.25 g/mol
Molecular Formula C13H13NO3
Exact Mass 231.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2PYMBDRu21t
Name 2-(3-ketoisoindolin-1-yl)acrylic acid ethyl ester
Alternate Name(s) 2-(3-oxo-1,2-dihydroisoindol-1-yl)-2-propenoic acid ethyl ester Ethyl 2-(3-oxidanylidene-1,2-dihydroisoindol-1-yl)prop-2-enoate Ethyl 2-(3-oxo-1,2-dihydroisoindol-1-yl)prop-2-enoate Ethyl 2-(3-oxoisoindolin-1-yl)prop-2-enoate
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Formula C13H13NO3
InChI InChI=1S/C13H13NO3/c1-3-17-13(16)8(2)11-9-6-4-5-7-10(9)12(15)14-11/h4-7,11H,2-3H2,1H3,(H,14,15)
InChIKey HMZGVFHKHRLPPK-UHFFFAOYSA-N
Molecular Weight 231.251 g/mol
SMILES N1C(c2c(C1C(C(=O)OCC)=C)cccc2)=O
SPLASH splash10-0a5i-0900000000-4a2adf0794ca84f378be
Source of Spectrum Y-40-941-5
Wiley ID 1567262