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

*Links on SpectraBase are not permalinks.
Ethyl 4-Methyl-8-(2-pyrimidinyl)-2-{[(trifluoromethyl)sulfonyl]oxy}-6-quinolinecarboxylate
SpectraBase Compound ID Iv8O0NNIVfR
InChI InChI=1S/C18H14F3N3O5S/c1-3-28-17(25)11-8-12-10(2)7-14(29-30(26,27)18(19,20)21)24-15(12)13(9-11)16-22-5-4-6-23-16/h4-9H,3H2,1-2H3
InChIKey GPCJWADOUQYNFT-UHFFFAOYSA-N
Mol Weight 441.38 g/mol
Molecular Formula C18H14F3N3O5S
Exact Mass 441.060626 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 8gLak3Dw2RT
Name Ethyl 4-Methyl-8-(2-pyrimidinyl)-2-{[(trifluoromethyl)sulfonyl]oxy}-6-quinolinecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14F3N3O5S
InChI InChI=1S/C18H14F3N3O5S/c1-3-28-17(25)11-8-12-10(2)7-14(29-30(26,27)18(19,20)21)24-15(12)13(9-11)16-22-5-4-6-23-16/h4-9H,3H2,1-2H3
InChIKey GPCJWADOUQYNFT-UHFFFAOYSA-N
Molecular Weight 441.381 g/mol
SMILES C(S(Oc1nc2c(cc(cc2c(c1)C)C(=O)OCC)-c1ncccn1)(=O)=O)(F)(F)F
SPLASH splash10-0a4i-0029000000-8c080f654dd604dccce4
Source of Spectrum CV-2003-239-3
Wiley ID 1610816