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

*Links on SpectraBase are not permalinks.

2-(2-Oxo-2-piperidin-1-yl-ethylsulfanyl)-6-thiophen-2-yl-4-trifluoromethyl-nicotinonitrile

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-(2-Oxo-2-piperidin-1-yl-ethylsulfanyl)-6-thiophen-2-yl-4-trifluoromethyl-nicotinonitrile
SpectraBase Compound ID ByKgIeOgpw3
InChI InChI=1S/C18H16F3N3OS2/c19-18(20,21)13-9-14(15-5-4-8-26-15)23-17(12(13)10-22)27-11-16(25)24-6-2-1-3-7-24/h4-5,8-9H,1-3,6-7,11H2
InChIKey UBQADNFPISMMSJ-UHFFFAOYSA-N
Mol Weight 411.46 g/mol
Molecular Formula C18H16F3N3OS2
Exact Mass 411.068689 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 3dFrNfizn2T
Name 3-pyridinecarbonitrile, 2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-6-(2-thienyl)-4-(trifluoromethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 411.068688983 u
Formula C18H16F3N3OS2
InChI InChI=1S/C18H16F3N3OS2/c19-18(20,21)13-9-14(15-5-4-8-26-15)23-17(12(13)10-22)27-11-16(25)24-6-2-1-3-7-24/h4-5,8-9H,1-3,6-7,11H2
InChIKey UBQADNFPISMMSJ-UHFFFAOYSA-N
Molecular Weight 411.461 g/mol
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4381
Solvent DMSO-d6
Source Vendor ID: ZI/9062105; Lab Info: NKS; Lab Number: NKS-0010053