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N-(1-(Methoxycarbonyl)ethyl)-1-isoindolinone

View entire compound with spectra: 1 MS (GC)

N-(1-(Methoxycarbonyl)ethyl)-1-isoindolinone
SpectraBase Compound ID 7dcdHnCwIoE
InChI InChI=1S/C12H13NO3/c1-8(12(15)16-2)13-7-9-5-3-4-6-10(9)11(13)14/h3-6,8H,7H2,1-2H3
InChIKey CKDOYKILUYJVAL-UHFFFAOYSA-N
Mol Weight 219.24 g/mol
Molecular Formula C12H13NO3
Exact Mass 219.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E9aQjLi0c5S
Name N-(1-(Methoxycarbonyl)ethyl)-1-isoindolinone
Alternate Name(s) 2-(3-oxo-1H-isoindol-2-yl)propanoic acid methyl ester Methyl 2-(3-oxo-1H-isoindol-2-yl)propanoate Methyl 2-(1-oxoisoindolin-2-yl)propanoate Methyl 2-(3-oxidanylidene-1H-isoindol-2-yl)propanoate
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Formula C12H13NO3
InChI InChI=1S/C12H13NO3/c1-8(12(15)16-2)13-7-9-5-3-4-6-10(9)11(13)14/h3-6,8H,7H2,1-2H3
InChIKey CKDOYKILUYJVAL-UHFFFAOYSA-N
Molecular Weight 219.240 g/mol
SMILES C1(N(Cc2ccccc12)C(C(=O)OC)C)=O
SPLASH splash10-03di-0910000000-eb08787dd30f8f4adc37
Source of Spectrum F-67-1039-2d
Wiley ID 1685653