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

*Links on SpectraBase are not permalinks.
1-(4-Methoxyphenyl)-9-oxo-9H-thioxanthen-4-yl trifluoromethanesulfonate
SpectraBase Compound ID 991ePrSoFKC
InChI InChI=1S/C21H13F3O5S2/c1-28-13-8-6-12(7-9-13)14-10-11-16(29-31(26,27)21(22,23)24)20-18(14)19(25)15-4-2-3-5-17(15)30-20/h2-11H,1H3
InChIKey GSZCTQPNOKRDNF-UHFFFAOYSA-N
Mol Weight 466.45 g/mol
Molecular Formula C21H13F3O5S2
Exact Mass 466.01565 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 AfXOYQBqa27
Name 1-(4-Methoxyphenyl)-9-oxo-9H-thioxanthen-4-yl trifluoromethanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H13F3O5S2
InChI InChI=1S/C21H13F3O5S2/c1-28-13-8-6-12(7-9-13)14-10-11-16(29-31(26,27)21(22,23)24)20-18(14)19(25)15-4-2-3-5-17(15)30-20/h2-11H,1H3
InChIKey GSZCTQPNOKRDNF-UHFFFAOYSA-N
Molecular Weight 466.445 g/mol
SMILES C(S(Oc1c2c(C(=O)c3c(S2)cccc3)c(cc1)-c1ccc(cc1)OC)(=O)=O)(F)(F)F
SPLASH splash10-001i-0009300000-fb25251fde53f86f98b9
Source of Spectrum F-68-718-10e
Wiley ID 1707481