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benzoic acid, 4-[2,5-dioxo-3-[4-[(2E)-3-phenyl-2-propenyl]-1-piperazinyl]-1-pyrrolidinyl]-, butyl ester
SpectraBase Compound ID 3cTQHMNOZOi
InChI InChI=1S/C28H33N3O4/c1-2-3-20-35-28(34)23-11-13-24(14-12-23)31-26(32)21-25(27(31)33)30-18-16-29(17-19-30)15-7-10-22-8-5-4-6-9-22/h4-14,25H,2-3,15-21H2,1H3/b10-7+
InChIKey FREILWSEABWCLG-JXMROGBWSA-N
Mol Weight 475.6 g/mol
Molecular Formula C28H33N3O4
Exact Mass 475.247107 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K0Zu94gjzd4
Name benzoic acid, 4-[2,5-dioxo-3-[4-[(2E)-3-phenyl-2-propenyl]-1-piperazinyl]-1-pyrrolidinyl]-, butyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 475.247106551 u
Formula C28H33N3O4
InChI InChI=1S/C28H33N3O4/c1-2-3-20-35-28(34)23-11-13-24(14-12-23)31-26(32)21-25(27(31)33)30-18-16-29(17-19-30)15-7-10-22-8-5-4-6-9-22/h4-14,25H,2-3,15-21H2,1H3/b10-7+
InChIKey FREILWSEABWCLG-JXMROGBWSA-N
Molecular Weight 475.589 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8606
Solvent DMSO-d6
Source Vendor ID: NMR/10210285; Lab Info: PE; Lab Number: PE-0790113