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

*Links on SpectraBase are not permalinks.
6-((2-(benzo[d][1,3]dioxol-5-yl)-2-oxoethyl)thio)-4-(trifluoromethyl)-[2,4'-bipyridine]-5-carbonitrile
SpectraBase Compound ID I5iYcT7LaHw
InChI InChI=1S/C21H12F3N3O3S/c22-21(23,24)15-8-16(12-3-5-26-6-4-12)27-20(14(15)9-25)31-10-17(28)13-1-2-18-19(7-13)30-11-29-18/h1-8H,10-11H2
InChIKey YNAQSRQWEZQLLD-UHFFFAOYSA-N
Mol Weight 443.4 g/mol
Molecular Formula C21H12F3N3O3S
Exact Mass 443.055147 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 66eDLJz3hNO
Name 6-((2-(benzo[d][1,3]dioxol-5-yl)-2-oxoethyl)thio)-4-(trifluoromethyl)-[2,4'-bipyridine]-5-carbonitrile
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/C21H12F3N3O3S/c22-21(23,24)15-8-16(12-3-5-26-6-4-12)27-20(14(15)9-25)31-10-17(28)13-1-2-18-19(7-13)30-11-29-18/h1-8H,10-11H2
InChIKey YNAQSRQWEZQLLD-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25641
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: D60510; Labnumber: SHES3-0204; SBI_ID: SBI-025645
Temperature 308 °C