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2-[(S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]propanal
SpectraBase Compound ID 2Bfpd22uGxf
InChI InChI=1S/C14H15NO3/c1-10(9-16)12-7-13(17)15(14(12)18)8-11-5-3-2-4-6-11/h2-6,9-10,12H,7-8H2,1H3/t10?,12-/m0/s1
InChIKey SMFRLCWQKQQDNI-KFJBMODSSA-N
Mol Weight 245.28 g/mol
Molecular Formula C14H15NO3
Exact Mass 245.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9SXa8W13woF
Name 2-[(S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]propanal
Appearance Pale yellow oil
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Formula C14H15NO3
InChI InChI=1S/C14H15NO3/c1-10(9-16)12-7-13(17)15(14(12)18)8-11-5-3-2-4-6-11/h2-6,9-10,12H,7-8H2,1H3/t10?,12-/m0/s1
InChIKey SMFRLCWQKQQDNI-KFJBMODSSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000335
Molecular Weight 245.278 g/mol
SMILES C1([C@@](CC(N1Cc1ccccc1)=O)(C(C)C=O)[H])=O
SPLASH splash10-05mo-9640000000-46cd25447aaccb424895
Sample Comments diastereomer mixture of syn/anti
Source of Spectrum ASC-362-SM68-(S)-16
Wiley ID 1855507