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ethyl 4-[({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]benzoate
SpectraBase Compound ID EqfCL7x2Qre
InChI InChI=1S/C16H17BrN4O3S/c1-3-21-9-12(17)13(20-21)14(22)19-16(25)18-11-7-5-10(6-8-11)15(23)24-4-2/h5-9H,3-4H2,1-2H3,(H2,18,19,22,25)
InChIKey PVEJQQFPPGWFLD-UHFFFAOYSA-N
Mol Weight 425.3 g/mol
Molecular Formula C16H17BrN4O3S
Exact Mass 424.020475 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9qJ25CIDDFi
Name ethyl 4-[({[(4-bromo-1-ethyl-1H-pyrazol-3-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/C16H17BrN4O3S/c1-3-21-9-12(17)13(20-21)14(22)19-16(25)18-11-7-5-10(6-8-11)15(23)24-4-2/h5-9H,3-4H2,1-2H3,(H2,18,19,22,25)
InChIKey PVEJQQFPPGWFLD-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8696
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: 1001955; UBI_ID: UBI-008699
Temperature 318 °C