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

*Links on SpectraBase are not permalinks.

4-[2-[[4-[4-(Trifluoromethyl)phenoxy]phenyl]thio]ethyl]quinazoline

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

4-[2-[[4-[4-(Trifluoromethyl)phenoxy]phenyl]thio]ethyl]quinazoline
SpectraBase Compound ID 411GQd1t1eW
InChI InChI=1S/C23H17F3N2OS/c24-23(25,26)16-5-7-17(8-6-16)29-18-9-11-19(12-10-18)30-14-13-22-20-3-1-2-4-21(20)27-15-28-22/h1-12,15H,13-14H2
InChIKey BVPFIYDFOBCIAC-UHFFFAOYSA-N
Mol Weight 426.46 g/mol
Molecular Formula C23H17F3N2OS
Exact Mass 426.101369 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2KOh9vqlyV3
Name 4-[2-[[4-[4-(Trifluoromethyl)phenoxy]phenyl]thio]ethyl]quinazoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.101368837 u
Formula C23H17F3N2OS
InChI InChI=1S/C23H17F3N2OS/c24-23(25,26)16-5-7-17(8-6-16)29-18-9-11-19(12-10-18)30-14-13-22-20-3-1-2-4-21(20)27-15-28-22/h1-12,15H,13-14H2
InChIKey BVPFIYDFOBCIAC-UHFFFAOYSA-N
Molecular Weight 426.457 g/mol
SMILES C(C=1C=CC(OC2=CC=C(SCCC3=C4C(C=CC=C4)=NC=N3)C=C2)=CC1)(F)(F)F