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2-(1-ketoisoindolin-2-yl)acetic acid ethyl ester
SpectraBase Compound ID Cmv11ixBDxl
InChI InChI=1S/C12H13NO3/c1-2-16-11(14)8-13-7-9-5-3-4-6-10(9)12(13)15/h3-6H,2,7-8H2,1H3
InChIKey WYPFDRSAHGOTQS-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 AAdBaklH6d
Name 2-(1-ketoisoindolin-2-yl)acetic acid ethyl ester
CAS Registry Number 96017-04-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO3
InChI InChI=1S/C12H13NO3/c1-2-16-11(14)8-13-7-9-5-3-4-6-10(9)12(13)15/h3-6H,2,7-8H2,1H3
InChIKey WYPFDRSAHGOTQS-UHFFFAOYSA-N
Molecular Weight 219.240 g/mol
SMILES C1(N(Cc2ccccc12)CC(=O)OCC)=O
SPLASH splash10-0002-1900000000-489c69822fb69802ebd1
Source of Spectrum I-68-850-1
Synonyms 2-(3-oxo-1H-isoindol-2-yl)acetic acid ethyl ester Ethyl 2-(1-oxoisoindolin-2-yl)acetate Ethyl 2-(3-oxidanylidene-1H-isoindol-2-yl)ethanoate Ethyl 2-(3-oxo-1H-isoindol-2-yl)acetate
Wiley ID 1218839