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

*Links on SpectraBase are not permalinks.

1-Phenyl-4-(2-phenylethyl)-1H-pyrazol-3-yl trifluoromethanesulfonate

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

1-Phenyl-4-(2-phenylethyl)-1H-pyrazol-3-yl trifluoromethanesulfonate
SpectraBase Compound ID 9GOtI9PWDne
InChI InChI=1S/C18H15F3N2O3S/c19-18(20,21)27(24,25)26-17-15(12-11-14-7-3-1-4-8-14)13-23(22-17)16-9-5-2-6-10-16/h1-10,13H,11-12H2
InChIKey KFRDJZANFYQPHF-UHFFFAOYSA-N
Mol Weight 396.38 g/mol
Molecular Formula C18H15F3N2O3S
Exact Mass 396.075548 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 NiBI1mJoxm
Name 1-Phenyl-4-(2-phenylethyl)-1H-pyrazol-3-yl trifluoromethanesulfonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.075548011 u
Formula C18H15F3N2O3S
InChI InChI=1S/C18H15F3N2O3S/c19-18(20,21)27(24,25)26-17-15(12-11-14-7-3-1-4-8-14)13-23(22-17)16-9-5-2-6-10-16/h1-10,13H,11-12H2
InChIKey KFRDJZANFYQPHF-UHFFFAOYSA-N
Molecular Weight 396.384 g/mol
SMILES C1(OS(C(F)(F)F)(=O)=O)=NN(C=2C=CC=CC2)C=C1CCC1=CC=CC=C1