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N-(1,3-benzodioxol-5-ylmethyl)-N-[1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]-N'-ethylthiourea
SpectraBase Compound ID AtBln2nY4mD
InChI InChI=1S/C21H20BrN3O4S/c1-2-23-21(30)24(11-13-3-8-17-18(9-13)29-12-28-17)16-10-19(26)25(20(16)27)15-6-4-14(22)5-7-15/h3-9,16H,2,10-12H2,1H3,(H,23,30)
InChIKey ROJNLRWPUGWHBE-UHFFFAOYSA-N
Mol Weight 490.37 g/mol
Molecular Formula C21H20BrN3O4S
Exact Mass 489.03579 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DQh81hTeW7D
Name N-(1,3-benzodioxol-5-ylmethyl)-N-[1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]-N'-ethylthiourea
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/C21H20BrN3O4S/c1-2-23-21(30)24(11-13-3-8-17-18(9-13)29-12-28-17)16-10-19(26)25(20(16)27)15-6-4-14(22)5-7-15/h3-9,16H,2,10-12H2,1H3,(H,23,30)
InChIKey ROJNLRWPUGWHBE-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5468
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: UZI/8162288; UBI_ID: UBI-005470
Temperature 313 °C