For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-(4-Methylphenyl)-3-phenyl-5-ethoxycarbonyl-1,3,4-oxadiazolium trifluorpmethanesulfonate
SpectraBase Compound ID DmqlIeyv8tE
InChI InChI=1S/C18H17N2O3.CHF3O3S/c1-3-22-18(21)16-19-20(15-7-5-4-6-8-15)17(23-16)14-11-9-13(2)10-12-14;2-1(3,4)8(5,6)7/h4-12H,3H2,1-2H3;(H,5,6,7)/q+1;/p-1
InChIKey FQDGLRQNGBALSP-UHFFFAOYSA-M
Mol Weight 458.41 g/mol
Molecular Formula C19H17F3N2O6S
Exact Mass 458.075942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DwdrRydnqz0
Name 2-(4-Methylphenyl)-3-phenyl-5-ethoxycarbonyl-1,3,4-oxadiazolium trifluorpmethanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17F3N2O6S
InChI InChI=1S/C18H17N2O3.CHF3O3S/c1-3-22-18(21)16-19-20(15-7-5-4-6-8-15)17(23-16)14-11-9-13(2)10-12-14;2-1(3,4)8(5,6)7/h4-12H,3H2,1-2H3;(H,5,6,7)/q+1;/p-1
InChIKey FQDGLRQNGBALSP-UHFFFAOYSA-M
Molecular Weight 458.408 g/mol
SMILES C(S([O-])(=O)=O)(F)(F)F.c1(n[n+](c(o1)-c1ccc(cc1)C)-c1ccccc1)C(=O)OCC
SPLASH splash10-014i-3900000000-ae4d941a62b175f4783c
Source of Spectrum SO-0-693-7
Wiley ID 1540179