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

*Links on SpectraBase are not permalinks.
2-Amino-3-pyridinecarboxylic acid 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl ester
SpectraBase Compound ID IJ2JHWi2en7
InChI InChI=1S/C16H12F6N2O4S/c17-15(18,19)9-6-10(16(20,21)22)8-11(7-9)29(26,27)5-4-28-14(25)12-2-1-3-24-13(12)23/h1-3,6-8H,4-5H2,(H2,23,24)
InChIKey GFWCRSXXRUYBDI-UHFFFAOYSA-N
Mol Weight 442.33 g/mol
Molecular Formula C16H12F6N2O4S
Exact Mass 442.042197 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 HMt8PGkyO7u
Name 2-Amino-3-pyridinecarboxylic acid 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12F6N2O4S
InChI InChI=1S/C16H12F6N2O4S/c17-15(18,19)9-6-10(16(20,21)22)8-11(7-9)29(26,27)5-4-28-14(25)12-2-1-3-24-13(12)23/h1-3,6-8H,4-5H2,(H2,23,24)
InChIKey GFWCRSXXRUYBDI-UHFFFAOYSA-N
Molecular Weight 442.332 g/mol
SMILES Nc1c(C(=O)OCCS(=O)(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cccn1
SPLASH splash10-044l-0950300000-5f03b830553425358721
Source of Spectrum CV-2003-285-4
Synonyms 2-Aminonicotinic acid 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl ester 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl 2-aminopyridine-3-carboxylate 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl 2-azanylpyridine-3-carboxylate
Wiley ID 1610771