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1-Benzyl-4-(4-chlorobenzyl)pyrrolidin-2,5-dione

View entire compound with spectra: 2 NMR, and 1 FTIR

1-Benzyl-4-(4-chlorobenzyl)pyrrolidin-2,5-dione
SpectraBase Compound ID L0IPvUc10ap
InChI InChI=1S/C18H16ClNO2/c19-16-8-6-13(7-9-16)10-15-11-17(21)20(18(15)22)12-14-4-2-1-3-5-14/h1-9,15H,10-12H2
InChIKey YXTNDPFDGNIKOZ-UHFFFAOYSA-N
Mol Weight 313.78 g/mol
Molecular Formula C18H16ClNO2
Exact Mass 313.086956 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9ZLZHVOjzbf
Name 1-Benzyl-4-(4-chlorobenzyl)pyrrolidin-2,5-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 313.086956457 u
Formula C18H16ClNO2
InChI InChI=1S/C18H16ClNO2/c19-16-8-6-13(7-9-16)10-15-11-17(21)20(18(15)22)12-14-4-2-1-3-5-14/h1-9,15H,10-12H2
InChIKey YXTNDPFDGNIKOZ-UHFFFAOYSA-N
Molecular Weight 313.784 g/mol
SMILES C1(=CC=CC=C1)CN1C(=O)C(CC1=O)CC1=CC=C(C=C1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.901881