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2-[3-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-5-oxo-2-thioxo-4-imidazolidinyl]-N-(4-methoxyphenyl)acetamide
SpectraBase Compound ID 8PS8oqjFg30
InChI InChI=1S/C27H25N3O5S/c1-33-21-10-8-20(9-11-21)28-25(31)14-22-26(32)30(15-18-5-3-2-4-6-18)27(36)29(22)16-19-7-12-23-24(13-19)35-17-34-23/h2-13,22H,14-17H2,1H3,(H,28,31)
InChIKey JIOINHONFWTAFD-UHFFFAOYSA-N
Mol Weight 503.57 g/mol
Molecular Formula C27H25N3O5S
Exact Mass 503.151492 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9WeGdLNfMJk
Name 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-5-oxo-2-thioxo-4-imidazolidinyl]-N-(4-methoxyphenyl)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/C27H25N3O5S/c1-33-21-10-8-20(9-11-21)28-25(31)14-22-26(32)30(15-18-5-3-2-4-6-18)27(36)29(22)16-19-7-12-23-24(13-19)35-17-34-23/h2-13,22H,14-17H2,1H3,(H,28,31)
InChIKey JIOINHONFWTAFD-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2254
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: D02330; Labnumber: MPOL-10287; SBI_ID: SBI-002256
Temperature 318 °C