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Octanoic acid, 2-[phenyl[(trifluoromethyl)sulfonyl]amino]-, ethyl ester
SpectraBase Compound ID LuOwdb789gs
InChI InChI=1S/C17H24F3NO4S/c1-3-5-6-10-13-15(16(22)25-4-2)21(14-11-8-7-9-12-14)26(23,24)17(18,19)20/h7-9,11-12,15H,3-6,10,13H2,1-2H3
InChIKey TWJKKJJYXMJJSS-UHFFFAOYSA-N
Mol Weight 395.44 g/mol
Molecular Formula C17H24F3NO4S
Exact Mass 395.137814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5r0tVqzc1xw
Name Octanoic acid, 2-[phenyl[(trifluoromethyl)sulfonyl]amino]-, ethyl ester
CAS Registry Number 69461-36-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24F3NO4S
InChI InChI=1S/C17H24F3NO4S/c1-3-5-6-10-13-15(16(22)25-4-2)21(14-11-8-7-9-12-14)26(23,24)17(18,19)20/h7-9,11-12,15H,3-6,10,13H2,1-2H3
InChIKey TWJKKJJYXMJJSS-UHFFFAOYSA-N
Molecular Weight 395.437 g/mol
SMILES C(N(S(C(F)(F)F)(=O)=O)c1ccccc1)(C(=O)OCC)CCCCCC
SPLASH splash10-00xr-1906000000-0ae2b09fdb40abe351ac
Source of Spectrum J-44-1837-0
Synonyms Ethyl 2-{[(trifluoromethyl)sulfonyl]anilino}octanoate N-(1-ethoxycarbonyl-2-pentyl)-N-phenyltriflamide
Wiley ID 1366970