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2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxo-4-imidazolidinyl]-N-(4-chlorophenyl)acetamide
SpectraBase Compound ID ITeBkEzZJ7C
InChI InChI=1S/C26H22ClN3O5S/c1-33-20-9-7-19(8-10-20)30-25(32)21(13-24(31)28-18-5-3-17(27)4-6-18)29(26(30)36)14-16-2-11-22-23(12-16)35-15-34-22/h2-12,21H,13-15H2,1H3,(H,28,31)
InChIKey QNXSIXAOTSWUBK-UHFFFAOYSA-N
Mol Weight 523.99 g/mol
Molecular Formula C26H22ClN3O5S
Exact Mass 523.09687 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 276KadlqHDP
Name 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxo-4-imidazolidinyl]-N-(4-chlorophenyl)acetamide
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/C26H22ClN3O5S/c1-33-20-9-7-19(8-10-20)30-25(32)21(13-24(31)28-18-5-3-17(27)4-6-18)29(26(30)36)14-16-2-11-22-23(12-16)35-15-34-22/h2-12,21H,13-15H2,1H3,(H,28,31)
InChIKey QNXSIXAOTSWUBK-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2071
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: D02281; Labnumber: MPOL-09701; SBI_ID: SBI-002073
Temperature 308 °C