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1-(((1-Bromo-5-(difluoromethoxy)pentan-3-yl)oxy)methyl)-4-fluorobenzene
SpectraBase Compound ID 8cHkglJpeAA
InChI InChI=1S/C13H16BrF3O2/c14-7-5-12(6-8-18-13(16)17)19-9-10-1-3-11(15)4-2-10/h1-4,12-13H,5-9H2
InChIKey PTCYZLVAUWXAPL-UHFFFAOYSA-N
Mol Weight 341.17 g/mol
Molecular Formula C13H16BrF3O2
Exact Mass 340.028577 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KnQ8dqwhELK
Name 1-(((1-Bromo-5-(difluoromethoxy)pentan-3-yl)oxy)methyl)-4-fluorobenzene
Appearance Colorless oil
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Exact Mass 340.028577242 u
Formula C13H16BrF3O2
InChI InChI=1S/C13H16BrF3O2/c14-7-5-12(6-8-18-13(16)17)19-9-10-1-3-11(15)4-2-10/h1-4,12-13H,5-9H2
InChIKey PTCYZLVAUWXAPL-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202103428
Molecular Weight 341.168 g/mol
Quality 10
Reported Formula C13H16BrF3O2
SMILES C(Br)CC(CCOC(F)F)OCC1=CC=C(C=C1)F
SPLASH splash10-0a4i-0900000000-4318356556dd8179ed25
Source of Spectrum QE-27-SM25-2k (DOI: 10.1002/chem.202103428)
Wiley ID 1904304