7-Phenyl-5,6,8,9-tetrahydrodibenzo[C,H]xanthylium trifluoromethane sulfonate

SpectraBase Compound ID	1ItrJYu7VGn
InChI	InChI=1S/C27H21O.CHF3O3S/c1-2-10-20(11-3-1)25-23-16-14-18-8-4-6-12-21(18)26(23)28-27-22-13-7-5-9-19(22)15-17-24(25)27;2-1(3,4)8(5,6)7/h1-13H,14-17H2;(H,5,6,7)/q+1;/p-1
InChIKey	VZLXLZZSHJSCLZ-UHFFFAOYSA-M Google Search
Mol Weight	510.53 g/mol
Molecular Formula	C28H21F3O4S
Exact Mass	510.111265 g/mol

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SpectraBase Spectrum ID	H0pCd6FoQbV
Name	7-Phenyl-5,6,8,9-tetrahydrodibenzo[C,H]xanthylium trifluoromethane sulfonate
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	510.111264815 u
Formula	C28H21F3O4S
InChI	InChI=1S/C27H21O.CHF3O3S/c1-2-10-20(11-3-1)25-23-16-14-18-8-4-6-12-21(18)26(23)28-27-22-13-7-5-9-19(22)15-17-24(25)27;2-1(3,4)8(5,6)7/h1-13H,14-17H2;(H,5,6,7)/q+1;/p-1
InChIKey	VZLXLZZSHJSCLZ-UHFFFAOYSA-M
Molecular Weight	510.527 g/mol
SMILES	C(F)(F)(F)S(=O)(=O)[O-].C=12[O+]=C3C=4C=CC=CC4CCC3=C(C1CCC=1C=CC=CC21)C=1C=CC=CC1