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2-(dimethylamino)-5,7-diphenyl-1,3,4-oxadiazolo[3,2-a]pyridinium trifluoromethanesulfonate
SpectraBase Compound ID FBidSx9XHMi
InChI InChI=1S/C20H18N3O.CHF3O3S/c1-22(2)20-21-23-18(16-11-7-4-8-12-16)13-17(14-19(23)24-20)15-9-5-3-6-10-15;2-1(3,4)8(5,6)7/h3-14H,1-2H3;(H,5,6,7)/q+1;/p-1
InChIKey BYZJUZDPIICKKK-UHFFFAOYSA-M
Mol Weight 465.45 g/mol
Molecular Formula C21H18F3N3O4S
Exact Mass 465.097012 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43xdy5HgpxE
Name 2-(dimethylamino)-5,7-diphenyl-1,3,4-oxadiazolo[3,2-a]pyridinium trifluoromethanesulfonate
Alternate Name(s) 2-(dimethylamino)-5,7-diphenyl[1,3,4]oxadiazolo[4,5-a]pyridin-4-ium trifluoromethanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18F3N3O4S
InChI InChI=1S/C20H18N3O.CHF3O3S/c1-22(2)20-21-23-18(16-11-7-4-8-12-16)13-17(14-19(23)24-20)15-9-5-3-6-10-15;2-1(3,4)8(5,6)7/h3-14H,1-2H3;(H,5,6,7)/q+1;/p-1
InChIKey BYZJUZDPIICKKK-UHFFFAOYSA-M
Molecular Weight 465.447 g/mol
SMILES C(S([O-])(=O)=O)(F)(F)F.c1(n[n+]2c(o1)cc(cc2-c1ccccc1)-c1ccccc1)N(C)C
SPLASH splash10-015a-0769000000-5dabf2665985ed2f9ff8
Source of Spectrum K-121-1499-4
Wiley ID 1391688