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butyl 4-{[({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}benzoate
SpectraBase Compound ID 6l3JqLPQlhE
InChI InChI=1S/C32H33N3O4S/c1-4-5-17-38-31(37)22-13-15-24(16-14-22)33-32(40)35-30(36)27-19-29(34-28-12-7-6-11-26(27)28)23-9-8-10-25(18-23)39-20-21(2)3/h6-16,18-19,21H,4-5,17,20H2,1-3H3,(H2,33,35,36,40)
InChIKey JLGGTCJSRNCJNR-UHFFFAOYSA-N
Mol Weight 555.7 g/mol
Molecular Formula C32H33N3O4S
Exact Mass 555.219178 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 87kl9ZWtrIc
Name butyl 4-{[({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}benzoate
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/C32H33N3O4S/c1-4-5-17-38-31(37)22-13-15-24(16-14-22)33-32(40)35-30(36)27-19-29(34-28-12-7-6-11-26(27)28)23-9-8-10-25(18-23)39-20-21(2)3/h6-16,18-19,21H,4-5,17,20H2,1-3H3,(H2,33,35,36,40)
InChIKey JLGGTCJSRNCJNR-UHFFFAOYSA-N
NMR Offset 16.5281
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10869
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: 1003556; UBI_ID: UBI-010872
Temperature 308 °C