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(3S)-1-benzyl-3-(2-oxocyclopentyl)pyrrolidine-2,5-dione
SpectraBase Compound ID 49oEIuvLnAl
InChI InChI=1S/C16H17NO3/c18-14-8-4-7-12(14)13-9-15(19)17(16(13)20)10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2/t12?,13-/m0/s1
InChIKey ZRNBXAWFTOATNM-ABLWVSNPSA-N
Mol Weight 271.32 g/mol
Molecular Formula C16H17NO3
Exact Mass 271.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C67EAdGXsLR
Name (3S)-1-benzyl-3-(2-oxocyclopentyl)pyrrolidine-2,5-dione
Appearance Pale yellow oil
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Formula C16H17NO3
InChI InChI=1S/C16H17NO3/c18-14-8-4-7-12(14)13-9-15(19)17(16(13)20)10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2/t12?,13-/m0/s1
InChIKey ZRNBXAWFTOATNM-ABLWVSNPSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000335
Molecular Weight 271.316 g/mol
SMILES C1(=O)[C@](C2CCCC2=O)(CC(=O)N1Cc1ccccc1)[H]
SPLASH splash10-074u-5920000000-f5901366358239781250
Sample Comments diastereomer mixture of syn/anti (85:15)
Source of Spectrum ASC-362-SM69-18ac
Wiley ID 1855510