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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1cbB9Trxmi
Name 1-Phenyl-4-(2-phenylethyl)-1H-pyrazol-3-yl trifluoromethanesulfonate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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)n[n](-c2ccccc2)cc1CCc1ccccc1
SPLASH splash10-01ot-0079000000-007aa650586e0f4b77f0
Source of Spectrum F-65-7820-18
Wiley ID 1679757