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(7-bromo-7,7-difluoro-heptyl) 4-fluorobenzoate
SpectraBase Compound ID 7FD5kQAwtC9
InChI InChI=1S/C14H16BrF3O2/c15-14(17,18)9-3-1-2-4-10-20-13(19)11-5-7-12(16)8-6-11/h5-8H,1-4,9-10H2
InChIKey WTBLEAKZNGFHAE-UHFFFAOYSA-N
Mol Weight 353.18 g/mol
Molecular Formula C14H16BrF3O2
Exact Mass 352.028577 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0BhsONMP7g
Name (7-bromo-7,7-difluoro-heptyl) 4-fluorobenzoate
Appearance Colorless liquid
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Formula C14H16BrF3O2
InChI InChI=1S/C14H16BrF3O2/c15-14(17,18)9-3-1-2-4-10-20-13(19)11-5-7-12(16)8-6-11/h5-8H,1-4,9-10H2
InChIKey WTBLEAKZNGFHAE-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 353.179 g/mol
Reported Formula C14H16O2F3Br
SMILES C(CCCCCC(Br)(F)F)OC(c1ccc(cc1)F)=O
SPLASH splash10-00di-0900000000-3e7377f36ca2547f4885
Source of Spectrum CN104892350A
Wiley ID 1850430