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

*Links on SpectraBase are not permalinks.
N-(2-{[4-tert-butyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}ethyl)-4-fluorobenzamide
SpectraBase Compound ID BUoWUaNtG4F
InChI InChI=1S/C18H19F4N3OS/c1-17(2,3)13-10-14(18(20,21)22)25-16(24-13)27-9-8-23-15(26)11-4-6-12(19)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,23,26)
InChIKey CCQGOHNBRTWYDV-UHFFFAOYSA-N
Mol Weight 401.42 g/mol
Molecular Formula C18H19F4N3OS
Exact Mass 401.118496 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 9wfNDfz6HoI
Name N-(2-{[4-tert-butyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}ethyl)-4-fluorobenzamide
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/C18H19F4N3OS/c1-17(2,3)13-10-14(18(20,21)22)25-16(24-13)27-9-8-23-15(26)11-4-6-12(19)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,23,26)
InChIKey CCQGOHNBRTWYDV-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1640
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/1007907; UBI_ID: UBI-001641
Temperature 308 °C