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N'-(4-bromobenzoyl)-N-cyclohexyl-N-[1-(4-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]thiourea
SpectraBase Compound ID KzkTowYBlYk
InChI InChI=1S/C25H26BrN3O3S/c1-16-7-13-20(14-8-16)29-22(30)15-21(24(29)32)28(19-5-3-2-4-6-19)25(33)27-23(31)17-9-11-18(26)12-10-17/h7-14,19,21H,2-6,15H2,1H3,(H,27,31,33)
InChIKey PDNPBQRUCQXPNI-UHFFFAOYSA-N
Mol Weight 528.47 g/mol
Molecular Formula C25H26BrN3O3S
Exact Mass 527.087826 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8YyhXMA4Qi8
Name N'-(4-bromobenzoyl)-N-cyclohexyl-N-[1-(4-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]thiourea
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/C25H26BrN3O3S/c1-16-7-13-20(14-8-16)29-22(30)15-21(24(29)32)28(19-5-3-2-4-6-19)25(33)27-23(31)17-9-11-18(26)12-10-17/h7-14,19,21H,2-6,15H2,1H3,(H,27,31,33)
InChIKey PDNPBQRUCQXPNI-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13388
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/9123233; UBI_ID: UBI-013391
Temperature 308 °C