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

*Links on SpectraBase are not permalinks.
methyl 2-[({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID 9asuwwr1YJV
InChI InChI=1S/C18H21ClN4O3S2/c1-9-13(19)14(23(2)22-9)15(24)20-18(27)21-16-12(17(25)26-3)10-7-5-4-6-8-11(10)28-16/h4-8H2,1-3H3,(H2,20,21,24,27)
InChIKey WPGOUXIVWTUKOY-UHFFFAOYSA-N
Mol Weight 440.96 g/mol
Molecular Formula C18H21ClN4O3S2
Exact Mass 440.074361 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 DmBcpUwkjs0
Name methyl 2-[({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
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/C18H21ClN4O3S2/c1-9-13(19)14(23(2)22-9)15(24)20-18(27)21-16-12(17(25)26-3)10-7-5-4-6-8-11(10)28-16/h4-8H2,1-3H3,(H2,20,21,24,27)
InChIKey WPGOUXIVWTUKOY-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7256
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: 9686221; UBI_ID: UBI-007259
Temperature 308 °C