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(3S)-1-methyl-3-(3-oxobutan-2-yl)pyrrolidine-2,5-dione
SpectraBase Compound ID Iw72E5Dzf7r
InChI InChI=1S/C9H13NO3/c1-5(6(2)11)7-4-8(12)10(3)9(7)13/h5,7H,4H2,1-3H3/t5?,7-/m0/s1
InChIKey YLHIDDWBOACFTE-MSZQBOFLSA-N
Mol Weight 183.21 g/mol
Molecular Formula C9H13NO3
Exact Mass 183.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8fxVigqYlnR
Name (3S)-1-methyl-3-(3-oxobutan-2-yl)pyrrolidine-2,5-dione
Appearance Pale yellow oil
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Formula C9H13NO3
InChI InChI=1S/C9H13NO3/c1-5(6(2)11)7-4-8(12)10(3)9(7)13/h5,7H,4H2,1-3H3/t5?,7-/m0/s1
InChIKey YLHIDDWBOACFTE-MSZQBOFLSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000335
Molecular Weight 183.207 g/mol
Reported Formula C9H13NO3
SMILES C1(=O)[C@](C(C)C(=O)C)(CC(=O)N1C)[H]
SPLASH splash10-002f-8900000000-325ab9ba35d91b82ae89
Sample Comments diastereomer mixture of syn/anti
Source of Spectrum ASC-362-SM71-18cb
Wiley ID 1855513