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(4Z)-2-phenyl-4-(3,3,3-trifluoro-2-methyl-propylidene)-2-oxazolin-5-one
SpectraBase Compound ID HqrSuBXUels
InChI InChI=1S/C13H10F3NO2/c1-8(13(14,15)16)7-10-12(18)19-11(17-10)9-5-3-2-4-6-9/h2-8H,1H3/b10-7-
InChIKey NBCFDAAHBKERAK-YFHOEESVSA-N
Mol Weight 269.22 g/mol
Molecular Formula C13H10F3NO2
Exact Mass 269.066363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CoVa6QYRBv7
Name (4Z)-2-phenyl-4-(3,3,3-trifluoro-2-methyl-propylidene)-2-oxazolin-5-one
CAS Registry Number 122519-45-3
Comments Less than 3 mono-isotopic peaks
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Formula C13H10F3NO2
InChI InChI=1S/C13H10F3NO2/c1-8(13(14,15)16)7-10-12(18)19-11(17-10)9-5-3-2-4-6-9/h2-8H,1H3/b10-7-
InChIKey NBCFDAAHBKERAK-YFHOEESVSA-N
Molecular Weight 269.223 g/mol
SMILES C1(=N\C(C(O1)=O)=C\C(C(F)(F)F)C)c1ccccc1
SPLASH splash10-0a4i-0910000000-7227e41f3479926e8c38
Source of Spectrum J-54-4516-7
Synonyms (4Z)-2-phenyl-4-(3,3,3-trifluoro-2-methyl-propylidene)oxazol-5-one (4Z)-2-phenyl-4-(3,3,3-trifluoro-2-methylpropylidene)-1,3-oxazol-5-one (4Z)-2-phenyl-4-(3,3,3-trifluoro-2-methylpropylidene)-5-oxazolone (4Z)-2-phenyl-4-[3,3,3-tris(fluoranyl)-2-methyl-propylidene]-1,3-oxazol-5-one
Wiley ID 1273059