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4-Isoxazolecarboxylic acid, 5-methyl-3-phenyl-, 2,2,2-trifluoroethyl ester
SpectraBase Compound ID 1U7rctXntsM
InChI InChI=1S/C13H10F3NO3/c1-8-10(12(18)19-7-13(14,15)16)11(17-20-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey FNEXLACXAXQSKU-UHFFFAOYSA-N
Mol Weight 285.22 g/mol
Molecular Formula C13H10F3NO3
Exact Mass 285.061278 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 26dgQQqCFPG
Name 4-Isoxazolecarboxylic acid, 5-methyl-3-phenyl-, 2,2,2-trifluoroethyl ester
Alternate Name(s) 5-Methyl-3-phenyl-4-isoxazolecarboxylic acid 2,2,2-trifluoroethyl ester 2,2,2-trifluoroethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate 2,2,2-trifluoroethyl 5-methyl-3-phenyl-isoxazole-4-carboxylate 2,2,2-tris(fluoranyl)ethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CAS Registry Number 61728-31-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10F3NO3
InChI InChI=1S/C13H10F3NO3/c1-8-10(12(18)19-7-13(14,15)16)11(17-20-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey FNEXLACXAXQSKU-UHFFFAOYSA-N
Molecular Weight 285.222 g/mol
SMILES c1(c(noc1C)-c1ccccc1)C(OCC(F)(F)F)=O
SPLASH splash10-000f-5590000000-064cc039ba1ed2060ff0
Source of Spectrum H-59-2091-29
Wiley ID 1288755