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N-[1-(4-chlorobenzyl)-1H-pyrazol-3-yl]-N'-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]thiourea
SpectraBase Compound ID Gxlc88njwyJ
InChI InChI=1S/C18H21ClN6S/c1-3-25-13(2)15(11-21-25)10-20-18(26)22-17-8-9-24(23-17)12-14-4-6-16(19)7-5-14/h4-9,11H,3,10,12H2,1-2H3,(H2,20,22,23,26)
InChIKey BCKVPQDPKQDTHF-UHFFFAOYSA-N
Mol Weight 388.92 g/mol
Molecular Formula C18H21ClN6S
Exact Mass 388.123694 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LeMdtWe5J8G
Name N-[1-(4-chlorobenzyl)-1H-pyrazol-3-yl]-N'-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]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/C18H21ClN6S/c1-3-25-13(2)15(11-21-25)10-20-18(26)22-17-8-9-24(23-17)12-14-4-6-16(19)7-5-14/h4-9,11H,3,10,12H2,1-2H3,(H2,20,22,23,26)
InChIKey BCKVPQDPKQDTHF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8181
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: UZI/1268779; Labnumber: COL7009; UZI_ID: UZI-008183
Temperature 318 °C