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2-[(3S)-2-keto-3-piperidyl]isoindoline-1,3-quinone
SpectraBase Compound ID CSLEubbEs8N
InChI InChI=1S/C13H12N2O3/c16-11-10(6-3-7-14-11)15-12(17)8-4-1-2-5-9(8)13(15)18/h1-2,4-5,10H,3,6-7H2,(H,14,16)/t10-/m0/s1
InChIKey ZLYHJKFZUWNUEQ-JTQLQIEISA-N
Mol Weight 244.25 g/mol
Molecular Formula C13H12N2O3
Exact Mass 244.084792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EJNmlTSKOGW
Name 2-[(3S)-2-keto-3-piperidyl]isoindoline-1,3-quinone
Alternate Name(s) 2-[(3S)-2-oxidanylidenepiperidin-3-yl]isoindole-1,3-dione 2-[(3S)-2-oxo-3-piperidinyl]isoindole-1,3-dione 2-[(3S)-2-oxo-3-piperidyl]isoindoline-1,3-dione 2-[(3S)-2-oxopiperidin-3-yl]isoindole-1,3-dione
CAS Registry Number 61071-65-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N2O3
InChI InChI=1S/C13H12N2O3/c16-11-10(6-3-7-14-11)15-12(17)8-4-1-2-5-9(8)13(15)18/h1-2,4-5,10H,3,6-7H2,(H,14,16)/t10-/m0/s1
InChIKey ZLYHJKFZUWNUEQ-JTQLQIEISA-N
Molecular Weight 244.250 g/mol
SMILES N1CCC[C@@](C1=O)(N1C(c2ccccc2C1=O)=O)[H]
SPLASH splash10-0w4i-9300000000-fa1bb4a5985ff2a13ef4
Source of Spectrum KO-2-218-0
Wiley ID 1246870