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1,1,1,3,3,3-Hexafluoropropan-2-yl nicotinate
SpectraBase Compound ID GQhKoY3oSa7
InChI InChI=1S/C9H5F6NO2/c10-8(11,12)7(9(13,14)15)18-6(17)5-2-1-3-16-4-5/h1-4,7H
InChIKey DUKSQADIWCHQAB-UHFFFAOYSA-N
Mol Weight 273.13 g/mol
Molecular Formula C9H5F6NO2
Exact Mass 273.022447 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHB31qlkSGJ
Name 1,1,1,3,3,3-Hexafluoropropan-2-yl nicotinate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H5F6NO2
InChI InChI=1S/C9H5F6NO2/c10-8(11,12)7(9(13,14)15)18-6(17)5-2-1-3-16-4-5/h1-4,7H
InChIKey DUKSQADIWCHQAB-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol400785d
Molecular Weight 273.134 g/mol
SMILES c1(C(OC(C(F)(F)F)C(F)(F)F)=O)cnccc1
SPLASH splash10-0adi-9860000000-c87e02aafd4a14fc391d
Source of Spectrum A1-15-2222/SMS17-3m
Synonyms 3-Pyridinecarboxylic acid 1,1,1,3,3,3-hexafluoropropan-2-yl ester 1,1,1,3,3,3-hexafluoropropan-2-yl pyridine-3-carboxylate [2,2,2-trifluoro-1-(trifluoromethyl)ethyl] pyridine-3-carboxylate 1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl pyridine-3-carboxylate
Wiley ID 1748564