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1-[2-(1,3-Benzodioxol-5-yl)ethyl]-3-(4-chlorobenzyl)-2,5-pyrrolidinedione

View entire compound with spectra: 3 NMR

1-[2-(1,3-Benzodioxol-5-yl)ethyl]-3-(4-chlorobenzyl)-2,5-pyrrolidinedione
SpectraBase Compound ID 3Q283SjNZd3
InChI InChI=1S/C20H18ClNO4/c21-16-4-1-13(2-5-16)9-15-11-19(23)22(20(15)24)8-7-14-3-6-17-18(10-14)26-12-25-17/h1-6,10,15H,7-9,11-12H2
InChIKey GJWCCYSRNPHMAJ-UHFFFAOYSA-N
Mol Weight 371.82 g/mol
Molecular Formula C20H18ClNO4
Exact Mass 371.092436 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7XQInenz2E5
Name 1-[2-(1,3-Benzodioxol-5-yl)ethyl]-3-(4-chlorobenzyl)-2,5-pyrrolidinedione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.092435760 u
Formula C20H18ClNO4
InChI InChI=1S/C20H18ClNO4/c21-16-4-1-13(2-5-16)9-15-11-19(23)22(20(15)24)8-7-14-3-6-17-18(10-14)26-12-25-17/h1-6,10,15H,7-9,11-12H2
InChIKey GJWCCYSRNPHMAJ-UHFFFAOYSA-N
Molecular Weight 371.820 g/mol
SMILES C=1C(Cl)=CC=C(CC2C(N(C(C2)=O)CCC2=CC=3OCOC3C=C2)=O)C1