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1H-Indole, 1-acetyl-4,5,6,7-tetrafluoro-3-[(5-oxo-2-phenyl-4(5H)-oxazolylidene)methyl]-
SpectraBase Compound ID 5yAThg92B64
InChI InChI=1S/C20H10F4N2O3/c1-9(27)26-8-11(13-14(21)15(22)16(23)17(24)18(13)26)7-12-20(28)29-19(25-12)10-5-3-2-4-6-10/h2-8H,1H3/b12-7+
InChIKey YMTZUQPTRHAPJT-KPKJPENVSA-N
Mol Weight 402.3 g/mol
Molecular Formula C20H10F4N2O3
Exact Mass 402.062755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KrxuXxaBp92
Name 1H-Indole, 1-acetyl-4,5,6,7-tetrafluoro-3-[(5-oxo-2-phenyl-4(5H)-oxazolylidene)methyl]-
Alternate Name(s) (4E)-4-[(1-acetyl-4,5,6,7-tetrafluoro-1H-indol-3-yl)methylene]-2-phenyl-1,3-oxazol-5(4H)-one 2-Phenyl-4-[(1-acetyl-4,5,6,7-tetrafluoroindolyl)-methylidene]-5-oxazolone
CAS Registry Number 88752-74-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H10F4N2O3
InChI InChI=1S/C20H10F4N2O3/c1-9(27)26-8-11(13-14(21)15(22)16(23)17(24)18(13)26)7-12-20(28)29-19(25-12)10-5-3-2-4-6-10/h2-8H,1H3/b12-7+
InChIKey YMTZUQPTRHAPJT-KPKJPENVSA-N
Molecular Weight 402.305 g/mol
SMILES c12[n](cc(c2c(F)c(c(c1F)F)F)\C=C/1N=C(c2ccccc2)OC1=O)C(=O)C
SPLASH splash10-0a4i-0900000000-3be628cf4e4336a09ea3
Source of Spectrum J-54-4521-31
Wiley ID 1370245