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N-[1-(4-butoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N'-(4-methylphenyl)thiourea
SpectraBase Compound ID 2t15cbjR24W
InChI InChI=1S/C28H33N5O3S/c1-5-6-15-36-24-13-11-23(12-14-24)33-26(34)16-25(27(33)35)32(18-21-17-31(4)30-20(21)3)28(37)29-22-9-7-19(2)8-10-22/h7-14,17,25H,5-6,15-16,18H2,1-4H3,(H,29,37)
InChIKey YHOKRTOFTUKXNN-UHFFFAOYSA-N
Mol Weight 519.7 g/mol
Molecular Formula C28H33N5O3S
Exact Mass 519.230411 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID SdQD9CpEAj
Name N-[1-(4-butoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N'-(4-methylphenyl)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/C28H33N5O3S/c1-5-6-15-36-24-13-11-23(12-14-24)33-26(34)16-25(27(33)35)32(18-21-17-31(4)30-20(21)3)28(37)29-22-9-7-19(2)8-10-22/h7-14,17,25H,5-6,15-16,18H2,1-4H3,(H,29,37)
InChIKey YHOKRTOFTUKXNN-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_34577
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: 9077860; SBI_ID: SBI-034581
Temperature 318 °C