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1-Bromo-4-(((1-bromo-5-(difluoromethoxy)pentan-3-yl)oxy)methyl)benzene
SpectraBase Compound ID Hu97u8QXW8d
InChI InChI=1S/C13H16Br2F2O2/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 COAHDDKRLOHMME-UHFFFAOYSA-N
Mol Weight 402.07 g/mol
Molecular Formula C13H16Br2F2O2
Exact Mass 399.948512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CnpthNBODmv
Name 1-Bromo-4-(((1-bromo-5-(difluoromethoxy)pentan-3-yl)oxy)methyl)benzene
Appearance Colorless oil
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Exact Mass 399.948512079 u
Formula C13H16Br2F2O2
InChI InChI=1S/C13H16Br2F2O2/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 COAHDDKRLOHMME-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202103428
Molecular Weight 402.074 g/mol
Quality 1
Reported Formula C13H16Br2F2O2
SMILES C1(Br)=CC=C(C=C1)COC(CCBr)CCOC(F)F
SPLASH splash10-014i-0900000000-255555f8e2c030e4c847
Source of Spectrum QE-27-SM26-2m (DOI: 10.1002/chem.202103428)
Wiley ID 1904306