3-Phenyl-5,7-diphenyl-4-methyl-4H-pyrido[2,1-b]-1,3,4-oxadiazinium trifluoromethane sulphonate

SpectraBase Compound ID	3E8twkf5aGc
InChI	InChI=1S/C26H21N2O.CHF3O3S/c1-27-25(22-15-9-4-10-16-22)19-29-26-18-23(20-11-5-2-6-12-20)17-24(28(26)27)21-13-7-3-8-14-21;2-1(3,4)8(5,6)7/h2-19H,1H3;(H,5,6,7)/q+1;/p-1
InChIKey	HMXAVGRIDKDROX-UHFFFAOYSA-M Google Search
Mol Weight	526.53 g/mol
Molecular Formula	C27H21F3N2O4S
Exact Mass	526.117413 g/mol

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SpectraBase Spectrum ID	GCW46pnimps
Name	3-Phenyl-5,7-diphenyl-4-methyl-4H-pyrido[2,1-b]-1,3,4-oxadiazinium trifluoromethane sulphonate
Alternate Name(s)	4-Methyl-3,6,8-triphenyl-4H-pyrido[2,1-b][1,3,4]oxadiazin-5-ium trifluoromethanesulfonate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H21F3N2O4S
InChI	InChI=1S/C26H21N2O.CHF3O3S/c1-27-25(22-15-9-4-10-16-22)19-29-26-18-23(20-11-5-2-6-12-20)17-24(28(26)27)21-13-7-3-8-14-21;2-1(3,4)8(5,6)7/h2-19H,1H3;(H,5,6,7)/q+1;/p-1
InChIKey	HMXAVGRIDKDROX-UHFFFAOYSA-M
Molecular Weight	526.530 g/mol
SMILES	C(S([O-])(=O)=O)(F)(F)F.C=1(N([n+]2c(OC1)cc(cc2-c1ccccc1)-c1ccccc1)C)c1ccccc1
SPLASH	splash10-0f89-0294000000-20329f5f01116a36aa0c
Source of Spectrum	Y-20-383-4
Wiley ID	1402798