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

*Links on SpectraBase are not permalinks.

3-[(3'-Fluoro-5'-trifluoromethyl-2'-pyridinyl)amino]-2-hydroxypropanenitrile 4-benzenesulfonate

View entire compound with spectra: 1 MS (GC)

3-[(3'-Fluoro-5'-trifluoromethyl-2'-pyridinyl)amino]-2-hydroxypropanenitrile 4-benzenesulfonate
SpectraBase Compound ID CgvsuzJXZH
InChI InChI=1S/C16H13F4N3O3S/c1-10-2-4-13(5-3-10)27(24,25)26-12(7-21)9-23-15-14(17)6-11(8-22-15)16(18,19)20/h2-6,8,12H,9H2,1H3,(H,22,23)
InChIKey PMZQDBRZRMVOMM-UHFFFAOYSA-N
Mol Weight 403.35 g/mol
Molecular Formula C16H13F4N3O3S
Exact Mass 403.061375 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 8u3uPHk1fKA
Name 3-[(3'-Fluoro-5'-trifluoromethyl-2'-pyridinyl)amino]-2-hydroxypropanenitrile 4-benzenesulfonate
Alternate Name(s) 1-cyano-2-{[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid[1-cyano-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]ester 4-Methylbenzenesulfonic acid[1-cyano-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridyl]amino]ethyl]ester [1-cyano-2-[[3-fluoranyl-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]4-methylbenzenesulfonate [1-cyano-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridyl]amino]ethyl]4-methylbenzenesulfonate [1-cyano-2-[[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [1-cyano-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl] ester [1-cyano-2-[[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl] 4-methylbenzenesulfonate [1-cyano-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridyl]amino]ethyl] 4-methylbenzenesulfonate [1-cyano-2-[[3-fluoranyl-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl] 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13F4N3O3S
InChI InChI=1S/C16H13F4N3O3S/c1-10-2-4-13(5-3-10)27(24,25)26-12(7-21)9-23-15-14(17)6-11(8-22-15)16(18,19)20/h2-6,8,12H,9H2,1H3,(H,22,23)
InChIKey PMZQDBRZRMVOMM-UHFFFAOYSA-N
Molecular Weight 403.352 g/mol
SMILES N(c1ncc(C(F)(F)F)cc1F)CC(C#N)OS(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0a4i-0090000000-2dce564b71337092ac69
Source of Spectrum Y-28-974-8
Wiley ID 1370778