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ethyl 4-({[1-benzyl-3-(4-fluorobenzyl)-5-oxo-2-thioxo-4-imidazolidinyl]acetyl}amino)benzoate
SpectraBase Compound ID K9jBM77GxbJ
InChI InChI=1S/C28H26FN3O4S/c1-2-36-27(35)21-10-14-23(15-11-21)30-25(33)16-24-26(34)32(18-19-6-4-3-5-7-19)28(37)31(24)17-20-8-12-22(29)13-9-20/h3-15,24H,2,16-18H2,1H3,(H,30,33)
InChIKey USANELVXOZISRY-UHFFFAOYSA-N
Mol Weight 519.59 g/mol
Molecular Formula C28H26FN3O4S
Exact Mass 519.162806 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID nNMHSGhavQ
Name ethyl 4-({[1-benzyl-3-(4-fluorobenzyl)-5-oxo-2-thioxo-4-imidazolidinyl]acetyl}amino)benzoate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C28H26FN3O4S/c1-2-36-27(35)21-10-14-23(15-11-21)30-25(33)16-24-26(34)32(18-19-6-4-3-5-7-19)28(37)31(24)17-20-8-12-22(29)13-9-20/h3-15,24H,2,16-18H2,1H3,(H,30,33)
InChIKey USANELVXOZISRY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2266
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D02342; Labnumber: MPOL-10416; SBI_ID: SBI-002268
Temperature 318 °C