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N-(4-iodo-2-methylphenyl)-N'-{[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}thiourea
SpectraBase Compound ID FEGkjsCM7SM
InChI InChI=1S/C28H26IN3O2S/c1-17(2)16-34-21-8-6-7-19(14-21)26-15-23(22-9-4-5-10-25(22)30-26)27(33)32-28(35)31-24-12-11-20(29)13-18(24)3/h4-15,17H,16H2,1-3H3,(H2,31,32,33,35)
InChIKey NKCKPADGLCXZTH-UHFFFAOYSA-N
Mol Weight 595.5 g/mol
Molecular Formula C28H26IN3O2S
Exact Mass 595.079043 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1H5vGGmfboA
Name N-(4-iodo-2-methylphenyl)-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/C28H26IN3O2S/c1-17(2)16-34-21-8-6-7-19(14-21)26-15-23(22-9-4-5-10-25(22)30-26)27(33)32-28(35)31-24-12-11-20(29)13-18(24)3/h4-15,17H,16H2,1-3H3,(H2,31,32,33,35)
InChIKey NKCKPADGLCXZTH-UHFFFAOYSA-N
NMR Offset 16.5281
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10877
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: 1003387; UBI_ID: UBI-010880
Temperature 308 °C