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

*Links on SpectraBase are not permalinks.
N-{5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}-N'-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)thiourea
SpectraBase Compound ID 9goljX2yFDd
InChI InChI=1S/C20H18ClN5O2S2/c1-11-2-4-14-15(7-22)19(30-17(14)6-11)25-20(29)24-18(27)16-5-3-13(28-16)10-26-9-12(21)8-23-26/h3,5,8-9,11H,2,4,6,10H2,1H3,(H2,24,25,27,29)
InChIKey CXCOOCTVVHIPCY-UHFFFAOYSA-N
Mol Weight 459.97 g/mol
Molecular Formula C20H18ClN5O2S2
Exact Mass 459.059045 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 LRGSelrXNTo
Name N-{5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}-N'-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)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/C20H18ClN5O2S2/c1-11-2-4-14-15(7-22)19(30-17(14)6-11)25-20(29)24-18(27)16-5-3-13(28-16)10-26-9-12(21)8-23-26/h3,5,8-9,11H,2,4,6,10H2,1H3,(H2,24,25,27,29)
InChIKey CXCOOCTVVHIPCY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6935
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: 9686658; UBI_ID: UBI-006937
Temperature 318 °C