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2,4-Octanedione, 3-[2-(5-chloro-3-ethyl-2(3H)-benzoxazolylidene)ethylidene]-1,1,1-trifluoro-7-methyl-
SpectraBase Compound ID UYVV3tuppb
InChI InChI=1S/C20H21ClF3NO3/c1-4-25-15-11-13(21)6-9-17(15)28-18(25)10-7-14(19(27)20(22,23)24)16(26)8-5-12(2)3/h6-7,9-12H,4-5,8H2,1-3H3/b14-7-,18-10-
InChIKey IJEISHRIIBNJMN-KWSDDNDCSA-N
Mol Weight 415.84 g/mol
Molecular Formula C20H21ClF3NO3
Exact Mass 415.116206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EYFGBKFqcMU
Name 2,4-Octanedione, 3-[2-(5-chloro-3-ethyl-2(3H)-benzoxazolylidene)ethylidene]-1,1,1-trifluoro-7-methyl-
Alternate Name(s) 3-(2-(5-chloro-3-ethylbenzo[d]oxazol-2(3H)-ylidene)ethylidene)-1,1,1-trifluoro-7-methyloctane-2,4-dione 3-[2-(5-chloro-3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-1,1,1-trifluoro-7-methyloctane-2,4-dione 3-[2-(5-chloranyl-3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-1,1,1-tris(fluoranyl)-7-methyl-octane-2,4-dione
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Formula C20H21ClF3NO3
InChI InChI=1S/C20H21ClF3NO3/c1-4-25-15-11-13(21)6-9-17(15)28-18(25)10-7-14(19(27)20(22,23)24)16(26)8-5-12(2)3/h6-7,9-12H,4-5,8H2,1-3H3/b14-7-,18-10-
InChIKey IJEISHRIIBNJMN-KWSDDNDCSA-N
Molecular Weight 415.840 g/mol
SMILES CCN1\C(Oc2ccc(Cl)cc12)=C\C=C\(C(=O)CCC(C)C)C(=O)C(F)(F)F
SPLASH splash10-00mp-5269100000-59905785a0040129094b
Source of Spectrum JX-2015-4-215
Wiley ID 1725664