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2-[3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-5-oxo-2-thioxo-4-imidazolidinyl]-N-(4-chlorophenyl)acetamide
SpectraBase Compound ID BIoBX2SeNZQ
InChI InChI=1S/C21H20ClN3O4S/c1-2-24-20(27)16(10-19(26)23-15-6-4-14(22)5-7-15)25(21(24)30)11-13-3-8-17-18(9-13)29-12-28-17/h3-9,16H,2,10-12H2,1H3,(H,23,26)
InChIKey WQVSMRAZSIWATJ-UHFFFAOYSA-N
Mol Weight 445.92 g/mol
Molecular Formula C21H20ClN3O4S
Exact Mass 445.086305 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 22yegjcUncY
Name 2-[3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-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/C21H20ClN3O4S/c1-2-24-20(27)16(10-19(26)23-15-6-4-14(22)5-7-15)25(21(24)30)11-13-3-8-17-18(9-13)29-12-28-17/h3-9,16H,2,10-12H2,1H3,(H,23,26)
InChIKey WQVSMRAZSIWATJ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2252
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: D02328; Labnumber: MPOL-10281; SBI_ID: SBI-002254
Temperature 318 °C