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N-{5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}-N'-(2-methyl-5-nitrophenyl)thiourea
SpectraBase Compound ID BMFoFaQT41p
InChI InChI=1S/C17H14ClN5O4S/c1-10-2-3-12(23(25)26)6-14(10)20-17(28)21-16(24)15-5-4-13(27-15)9-22-8-11(18)7-19-22/h2-8H,9H2,1H3,(H2,20,21,24,28)
InChIKey WYGATYDZORZIHK-UHFFFAOYSA-N
Mol Weight 419.84 g/mol
Molecular Formula C17H14ClN5O4S
Exact Mass 419.045503 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2zerQSpKgX9
Name N-{5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}-N'-(2-methyl-5-nitrophenyl)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/C17H14ClN5O4S/c1-10-2-3-12(23(25)26)6-14(10)20-17(28)21-16(24)15-5-4-13(27-15)9-22-8-11(18)7-19-22/h2-8H,9H2,1H3,(H2,20,21,24,28)
InChIKey WYGATYDZORZIHK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6932
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: 9686516; UBI_ID: UBI-006934
Temperature 318 °C