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3-{4-[bis(4-fluorophenyl)methyl]-1-piperazinyl}-1-(4-propoxyphenyl)-2,5-pyrrolidinedione
SpectraBase Compound ID HArqtHYBUQ3
InChI InChI=1S/C30H31F2N3O3/c1-2-19-38-26-13-11-25(12-14-26)35-28(36)20-27(30(35)37)33-15-17-34(18-16-33)29(21-3-7-23(31)8-4-21)22-5-9-24(32)10-6-22/h3-14,27,29H,2,15-20H2,1H3
InChIKey LTULUFULYHQBDV-UHFFFAOYSA-N
Mol Weight 519.59 g/mol
Molecular Formula C30H31F2N3O3
Exact Mass 519.233348 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LRV3ClGmMQo
Name 2,5-pyrrolidinedione, 3-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-1-(4-propoxyphenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 519.233348193 u
Formula C30H31F2N3O3
InChI InChI=1S/C30H31F2N3O3/c1-2-19-38-26-13-11-25(12-14-26)35-28(36)20-27(30(35)37)33-15-17-34(18-16-33)29(21-3-7-23(31)8-4-21)22-5-9-24(32)10-6-22/h3-14,27,29H,2,15-20H2,1H3
InChIKey LTULUFULYHQBDV-UHFFFAOYSA-N
Molecular Weight 519.593 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5622
Solvent DMSO-d6
Source Vendor ID: NMR/9301512; Lab Info: PE; Lab Number: PE-0109901