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1-(4-Fluorophenyl)-6-phenylpyridazinium trifluoroacetate
SpectraBase Compound ID 88iGbdohGfm
InChI InChI=1S/C16H12FN2.C2HF3O2/c17-14-8-10-15(11-9-14)19-16(7-4-12-18-19)13-5-2-1-3-6-13;3-2(4,5)1(6)7/h1-12H;(H,6,7)/q+1;/p-1
InChIKey TWIHHPDTUTYIER-UHFFFAOYSA-M
Mol Weight 364.3 g/mol
Molecular Formula C18H12F4N2O2
Exact Mass 364.08349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eu6SQC6c8UX
Name 1-(4-Fluorophenyl)-6-phenylpyridazinium trifluoroacetate
Alternate Name(s) 1-(4-fluorophenyl)-6-phenylpyridazin-1-ium 2,2,2-trifluoroacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H12F4N2O2
InChI InChI=1S/C16H12FN2.C2HF3O2/c17-14-8-10-15(11-9-14)19-16(7-4-12-18-19)13-5-2-1-3-6-13;3-2(4,5)1(6)7/h1-12H;(H,6,7)/q+1;/p-1
InChIKey TWIHHPDTUTYIER-UHFFFAOYSA-M
Literature Reference DOI 10.1002/anie.201406175
Molecular Weight 364.300 g/mol
SMILES C(C(F)(F)F)([O-])=O.c1(ccc(-[n+]2c(-c3ccccc3)cccn2)cc1)F
SPLASH splash10-0udj-7390000000-331e8a8895130f307bd6
Source of Spectrum ACI-53-SM20-28
Wiley ID 1782762