For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(S)-2-(1-benzyl-2,5-dioxopyrrolidin-3-yl)-2-methylpropanal
SpectraBase Compound ID BJsAKoVdcyL
InChI InChI=1S/C15H17NO3/c1-15(2,10-17)12-8-13(18)16(14(12)19)9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t12-/m1/s1
InChIKey BRPIJJXXMVSNTD-GFCCVEGCSA-N
Mol Weight 259.3 g/mol
Molecular Formula C15H17NO3
Exact Mass 259.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IBmMycEzY4W
Name (S)-2-(1-benzyl-2,5-dioxopyrrolidin-3-yl)-2-methylpropanal
Appearance Pale yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NO3
InChI InChI=1S/C15H17NO3/c1-15(2,10-17)12-8-13(18)16(14(12)19)9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t12-/m1/s1
InChIKey BRPIJJXXMVSNTD-GFCCVEGCSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000335
Molecular Weight 259.305 g/mol
Optical Rotation [a]D20 = +8.4 (c = 1, CHCl3)
SMILES C1(N(C(C[C@]1(C(C=O)(C)C)[H])=O)Cc1ccccc1)=O
SPLASH splash10-00lu-9560000000-203b5328801cfc828a96
Source of Spectrum ASC-362-SM65-(S)-11a
Wiley ID 1855501