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Benzoic acid, 4-[2,2-difluoro-2-(perfluorotetrahydrofur-2-yl)]acetylamino-, ethyl ester
SpectraBase Compound ID Di9RPXrvwOa
InChI InChI=1S/C15H10F9NO4/c1-2-28-9(26)7-3-5-8(6-4-7)25-10(27)11(16,17)14(22)12(18,19)13(20,21)15(23,24)29-14/h3-6H,2H2,1H3,(H,25,27)
InChIKey VMEDORDYCWUCMO-UHFFFAOYSA-N
Mol Weight 439.23 g/mol
Molecular Formula C15H10F9NO4
Exact Mass 439.046611 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5urnXBv6Dj7
Name Benzoic acid, 4-[2,2-difluoro-2-(perfluorotetrahydrofur-2-yl)]acetylamino-, ethyl ester
CAS Registry Number 331445-61-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H10F9NO4
InChI InChI=1S/C15H10F9NO4/c1-2-28-9(26)7-3-5-8(6-4-7)25-10(27)11(16,17)14(22)12(18,19)13(20,21)15(23,24)29-14/h3-6H,2H2,1H3,(H,25,27)
InChIKey VMEDORDYCWUCMO-UHFFFAOYSA-N
Molecular Weight 439.234 g/mol
SMILES N(C(C(C1(C(C(F)(F)C(O1)(F)F)(F)F)F)(F)F)=O)c1ccc(C(=O)OCC)cc1
SPLASH splash10-0296-9501100000-0d817b8f6cdc7749568d
Source of Spectrum AD-0-2532-0
Synonyms 4-[[2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluoro-2-oxolanyl)-1-oxoethyl]amino]benzoic acid ethyl ester 4-[[2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorotetrahydrofuran-2-yl)acetyl]amino]benzoic acid ethyl ester Ethyl 4-([difluoro(2,3,3,4,4,5,5-heptafluorotetrahydro-2-furanyl)acetyl]amino)benzoate Ethyl 4-[[2,2-bis(fluoranyl)-2-[2,3,3,4,4,5,5-heptakis(fluoranyl)oxolan-2-yl]ethanoyl]amino]benzoate Ethyl 4-[[2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetyl]amino]benzoate Ethyl 4-[[2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorotetrahydrofuran-2-yl)acetyl]amino]benzoate
Wiley ID 1419780