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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 EZHYMYXMisH
Name Flucythrinate
Carrier Gas Helium (1.0 ml/min)
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Exact Mass 451.159514547 u
Formula C26H23F2NO4
GC Column Agilent VF 17 (30 m x 0.250 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 270oC
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
Inlet Type Splitless
Instrument Name Agilent 6890N-5975
Ionization Type EI
Literature Reference DOI 10.1002/jssc.201601337
Molecular Weight 451.470 g/mol
Quality 15
SMILES C1=CC(=CC=C1)OC1=CC(=CC=C1)C(C#N)OC(C(C1=CC=C(C=C1)OC(F)F)C(C)C)=O
SPLASH splash10-052b-0900100000-226bf30ea632cec21fcb
Source of Spectrum SEP-40-2441-Flucythrinate (DOI: 10.1002/jssc.201601337)
Wiley ID 1904380