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Flucythrinate isomer II
SpectraBase Compound ID 2TLboGYzdcK
InChI InChI=1S/C26H23F2NO4/c1-17(2)24(18-11-13-21(14-12-18)32-26(27)28)25(30)33-23(16-29)19-7-6-10-22(15-19)31-20-8-4-3-5-9-20/h3-15,17,23-24,26H,1-2H3
InChIKey GBIHOLCMZGAKNG-UHFFFAOYSA-N
Mol Weight 451.47 g/mol
Molecular Formula C26H23F2NO4
Exact Mass 451.159515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KDXJpQsQfUt
Name Flucythrinate isomer I
Source of Sample Sigma-Aldrich Cat. #33496
CAS Registry Number 70124-77-5
Classification Pesticides: Acaricides
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Formula C26H23F2NO4
InChI InChI=1S/C26H23F2NO4/c1-17(2)24(18-11-13-21(14-12-18)32-26(27)28)25(30)33-23(16-29)19-7-6-10-22(15-19)31-20-8-4-3-5-9-20/h3-15,17,23-24,26H,1-2H3
InChIKey GBIHOLCMZGAKNG-UHFFFAOYSA-N
Number of Peaks 47
RI1 2839
SMILES C(OC(C#N)c1cc(Oc2ccccc2)ccc1)(C(c1ccc(OC(F)F)cc1)C(C)C)=O
SPLASH splash10-0a5a-1920000000-bc9ca5f21a4ee55ac948
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Benzeneacetic acid, 4-(difluoromethoxy)-alpha-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester
Wiley ID LM_PEST_275