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N-cyclohexyl-N'-{[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}thiourea
SpectraBase Compound ID 2xBBTZMtN5f
InChI InChI=1S/C27H31N3O2S/c1-18(2)17-32-21-12-8-9-19(15-21)25-16-23(22-13-6-7-14-24(22)29-25)26(31)30-27(33)28-20-10-4-3-5-11-20/h6-9,12-16,18,20H,3-5,10-11,17H2,1-2H3,(H2,28,30,31,33)
InChIKey BAOPTLJGBBTLTF-UHFFFAOYSA-N
Mol Weight 461.62 g/mol
Molecular Formula C27H31N3O2S
Exact Mass 461.213698 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CHaW8VyLkDT
Name N-cyclohexyl-N'-{[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}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/C27H31N3O2S/c1-18(2)17-32-21-12-8-9-19(15-21)25-16-23(22-13-6-7-14-24(22)29-25)26(31)30-27(33)28-20-10-4-3-5-11-20/h6-9,12-16,18,20H,3-5,10-11,17H2,1-2H3,(H2,28,30,31,33)
InChIKey BAOPTLJGBBTLTF-UHFFFAOYSA-N
NMR Offset 16.5281
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10895
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: 1003642; UBI_ID: UBI-010898
Temperature 308 °C