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butyl 4-[({[(4-chloro-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]benzoate
SpectraBase Compound ID 6kgBKf5CHlC
InChI InChI=1S/C18H21ClN4O3S/c1-3-5-10-26-17(25)12-6-8-13(9-7-12)21-18(27)22-16(24)15-14(19)11-20-23(15)4-2/h6-9,11H,3-5,10H2,1-2H3,(H2,21,22,24,27)
InChIKey FATHZHDEYWSUIL-UHFFFAOYSA-N
Mol Weight 408.9 g/mol
Molecular Formula C18H21ClN4O3S
Exact Mass 408.102289 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DlPger4vPlO
Name butyl 4-[({[(4-chloro-1-ethyl-1H-pyrazol-5-yl)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/C18H21ClN4O3S/c1-3-5-10-26-17(25)12-6-8-13(9-7-12)21-18(27)22-16(24)15-14(19)11-20-23(15)4-2/h6-9,11H,3-5,10H2,1-2H3,(H2,21,22,24,27)
InChIKey FATHZHDEYWSUIL-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4512
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: 9675613; UBI_ID: UBI-004513
Temperature 308 °C