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4-Bromo-2-(2-(difluoromethoxy)ethyl)butyl 4-methylbenzenesulfonate
SpectraBase Compound ID 3aHB7QpH3pw
InChI InChI=1S/C14H19BrF2O4S/c1-11-2-4-13(5-3-11)22(18,19)21-10-12(6-8-15)7-9-20-14(16)17/h2-5,12,14H,6-10H2,1H3
InChIKey YKVRFOFGVHNFKA-UHFFFAOYSA-N
Mol Weight 401.26 g/mol
Molecular Formula C14H19BrF2O4S
Exact Mass 400.01555 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EQmN085e7rS
Name 4-Bromo-2-(2-(difluoromethoxy)ethyl)butyl 4-methylbenzenesulfonate
Appearance Colorless oil
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Exact Mass 400.015549588 u
Formula C14H19BrF2O4S
InChI InChI=1S/C14H19BrF2O4S/c1-11-2-4-13(5-3-11)22(18,19)21-10-12(6-8-15)7-9-20-14(16)17/h2-5,12,14H,6-10H2,1H3
InChIKey YKVRFOFGVHNFKA-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202103428
Molecular Weight 401.263 g/mol
Quality 6
Reported Formula C14H19BrF2O4S
SMILES C(Br)CC(COS(C1=CC=C(C=C1)C)(=O)=O)CCOC(F)F
SPLASH splash10-0a4i-0900000000-9fc1d9415c263abd091f
Source of Spectrum QE-27-SM34-2af (DOI: 10.1002/chem.202103428)
Wiley ID 1904299