For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
methyl 2-[({[1-(4-chlorobenzyl)-1H-pyrazol-3-yl]amino}carbothioyl)amino]-4-ethyl-5-methyl-3-thiophenecarboxylate
SpectraBase Compound ID DKH8CkC9aXw
InChI InChI=1S/C20H21ClN4O2S2/c1-4-15-12(2)29-18(17(15)19(26)27-3)23-20(28)22-16-9-10-25(24-16)11-13-5-7-14(21)8-6-13/h5-10H,4,11H2,1-3H3,(H2,22,23,24,28)
InChIKey KSHZAAAODBCOIN-UHFFFAOYSA-N
Mol Weight 448.99 g/mol
Molecular Formula C20H21ClN4O2S2
Exact Mass 448.079446 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5AX1UELnWOS
Name methyl 2-[({[1-(4-chlorobenzyl)-1H-pyrazol-3-yl]amino}carbothioyl)amino]-4-ethyl-5-methyl-3-thiophenecarboxylate
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/C20H21ClN4O2S2/c1-4-15-12(2)29-18(17(15)19(26)27-3)23-20(28)22-16-9-10-25(24-16)11-13-5-7-14(21)8-6-13/h5-10H,4,11H2,1-3H3,(H2,22,23,24,28)
InChIKey KSHZAAAODBCOIN-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8109
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/1268367; Labnumber: COL6813; UZI_ID: UZI-008111
Temperature 318 °C