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2-(4-Methoxyphenyl)-3-phenyl-5-ethoxycarbonyl-1,3,4-oxadiazolium trifluorpmethanesulfonate
SpectraBase Compound ID E3irLTXOo6E
InChI InChI=1S/C18H17N2O4.CHF3O3S/c1-3-23-18(21)16-19-20(14-7-5-4-6-8-14)17(24-16)13-9-11-15(22-2)12-10-13;2-1(3,4)8(5,6)7/h4-12H,3H2,1-2H3;(H,5,6,7)/q+1;/p-1
InChIKey PURADXFADTXJBQ-UHFFFAOYSA-M
Mol Weight 474.41 g/mol
Molecular Formula C19H17F3N2O7S
Exact Mass 474.070857 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GRuoTAN6AA6
Name 2-(4-Methoxyphenyl)-3-phenyl-5-ethoxycarbonyl-1,3,4-oxadiazolium trifluorpmethanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17F3N2O7S
InChI InChI=1S/C18H17N2O4.CHF3O3S/c1-3-23-18(21)16-19-20(14-7-5-4-6-8-14)17(24-16)13-9-11-15(22-2)12-10-13;2-1(3,4)8(5,6)7/h4-12H,3H2,1-2H3;(H,5,6,7)/q+1;/p-1
InChIKey PURADXFADTXJBQ-UHFFFAOYSA-M
Molecular Weight 474.407 g/mol
SMILES C(S([O-])(=O)=O)(F)(F)F.c1(n[n+](c(o1)-c1ccc(cc1)OC)-c1ccccc1)C(=O)OCC
SPLASH splash10-000i-0900000000-49cb37ef92948daadeb9
Source of Spectrum SO-0-693-7
Wiley ID 1540178