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2,3-Diphenyl-5-ethoxycarbonyl-1,3,4-oxadiazolium trifluorpmethanesulfonate
SpectraBase Compound ID J12uNo5tHL6
InChI InChI=1S/C17H15N2O3.CHF3O3S/c1-2-21-17(20)15-18-19(14-11-7-4-8-12-14)16(22-15)13-9-5-3-6-10-13;2-1(3,4)8(5,6)7/h3-12H,2H2,1H3;(H,5,6,7)/q+1;/p-1
InChIKey YJJWPMPIFDZXIO-UHFFFAOYSA-M
Mol Weight 444.38 g/mol
Molecular Formula C18H15F3N2O6S
Exact Mass 444.060292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3L06zCnFXwn
Name 2,3-Diphenyl-5-ethoxycarbonyl-1,3,4-oxadiazolium trifluorpmethanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15F3N2O6S
InChI InChI=1S/C17H15N2O3.CHF3O3S/c1-2-21-17(20)15-18-19(14-11-7-4-8-12-14)16(22-15)13-9-5-3-6-10-13;2-1(3,4)8(5,6)7/h3-12H,2H2,1H3;(H,5,6,7)/q+1;/p-1
InChIKey YJJWPMPIFDZXIO-UHFFFAOYSA-M
Molecular Weight 444.381 g/mol
SMILES C(S([O-])(=O)=O)(F)(F)F.c1(n[n+](c(o1)-c1ccccc1)-c1ccccc1)C(=O)OCC
SPLASH splash10-0a4i-1900000000-32255300354a8169342e
Source of Spectrum SO-0-693-7
Wiley ID 1540180