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N-[3-chloro-4-(4-isobutyryl-1-piperazinyl)phenyl]-N'-(2,2-dimethylpropanoyl)thiourea

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N-[3-chloro-4-(4-isobutyryl-1-piperazinyl)phenyl]-N'-(2,2-dimethylpropanoyl)thiourea
SpectraBase Compound ID 1e42niO88IH
InChI InChI=1S/C20H29ClN4O2S/c1-13(2)17(26)25-10-8-24(9-11-25)16-7-6-14(12-15(16)21)22-19(28)23-18(27)20(3,4)5/h6-7,12-13H,8-11H2,1-5H3,(H2,22,23,27,28)
InChIKey SCMQMBXENUWBFU-UHFFFAOYSA-N
Mol Weight 424.99 g/mol
Molecular Formula C20H29ClN4O2S
Exact Mass 424.169975 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C7DOUn6D5MY
Name N-[3-chloro-4-(4-isobutyryl-1-piperazinyl)phenyl]-N'-(2,2-dimethylpropanoyl)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/C20H29ClN4O2S/c1-13(2)17(26)25-10-8-24(9-11-25)16-7-6-14(12-15(16)21)22-19(28)23-18(27)20(3,4)5/h6-7,12-13H,8-11H2,1-5H3,(H2,22,23,27,28)
InChIKey SCMQMBXENUWBFU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_30097
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: 1661284; SBI_ID: SBI-030101
Temperature 318 °C