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(3S)-1-benzyl-3-(3-oxobutan-2-yl)pyrrolidine-2,5-dione
SpectraBase Compound ID HChIMGLkgiE
InChI InChI=1S/C15H17NO3/c1-10(11(2)17)13-8-14(18)16(15(13)19)9-12-6-4-3-5-7-12/h3-7,10,13H,8-9H2,1-2H3/t10?,13-/m0/s1
InChIKey HNCJESJKNPFLLF-HQVZTVAUSA-N
Mol Weight 259.3 g/mol
Molecular Formula C15H17NO3
Exact Mass 259.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5CbxnWBbR3f
Name (3S)-1-benzyl-3-(3-oxobutan-2-yl)pyrrolidine-2,5-dione
Appearance Pale yellow oil
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Formula C15H17NO3
InChI InChI=1S/C15H17NO3/c1-10(11(2)17)13-8-14(18)16(15(13)19)9-12-6-4-3-5-7-12/h3-7,10,13H,8-9H2,1-2H3/t10?,13-/m0/s1
InChIKey HNCJESJKNPFLLF-HQVZTVAUSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000335
Molecular Weight 259.305 g/mol
Reported Formula C15H17NO3
SMILES C1(=O)[C@](C(C(=O)C)C)(CC(=O)N1Cc1ccccc1)[H]
SPLASH splash10-0a4l-9750000000-4b2b9da5efd20631fe9d
Sample Comments diastereomer mixture of syn/anti
Source of Spectrum ASC-362-SM69-18ab
Wiley ID 1855509