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

*Links on SpectraBase are not permalinks.
Tris(trifluoroacetyl)methyl ester alclofenac glucuronide
SpectraBase Compound ID FcJpqbbAl3a
InChI InChI=1S/C24H18ClF9O12/c1-3-6-41-11-5-4-9(7-10(11)25)8-12(35)42-18-16(46-21(39)24(32,33)34)14(45-20(38)23(29,30)31)13(15(43-18)17(36)40-2)44-19(37)22(26,27)28/h3-5,7,13-16,18H,1,6,8H2,2H3
InChIKey MZRMPMQUEUUHRF-UHFFFAOYSA-N
Mol Weight 704.83 g/mol
Molecular Formula C24H18ClF9O12
Exact Mass 704.034307 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 I3yYMAWRpsH
Name Tris(trifluoroacetyl)methyl ester alclofenac glucuronide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H18ClF9O12
InChI InChI=1S/C24H18ClF9O12/c1-3-6-41-11-5-4-9(7-10(11)25)8-12(35)42-18-16(46-21(39)24(32,33)34)14(45-20(38)23(29,30)31)13(15(43-18)17(36)40-2)44-19(37)22(26,27)28/h3-5,7,13-16,18H,1,6,8H2,2H3
InChIKey MZRMPMQUEUUHRF-UHFFFAOYSA-N
Molecular Weight 704.835 g/mol
SMILES C1(C(C(C(=O)OC)OC(C1OC(C(F)(F)F)=O)OC(=O)Cc1cc(Cl)c(cc1)OCC=C)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O
SPLASH splash10-001i-0930000400-33b5421acfda0d54aac0
Source of Spectrum KO-17-99-23
Synonyms Methyl 1-O-{[4-(allyloxy)-3-chlorophenyl]acetyl}-2,3,4-tris-O-(trifluoroacetyl)hexopyranuronate [6''-tris(trifluoroacetyl)methyl-glucopyranos-1''-O-acyl]3-chloro-4-(2'-propenyloxy)phenylacetate
Wiley ID 1415140