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Methanesulfonic acid, trifluoro-, 2,3-dibromo-1,4-butanediyl ester
SpectraBase Compound ID AgQuRyMJilh
InChI InChI=1S/C6H6Br2F6O6S2/c7-3(1-19-21(15,16)5(9,10)11)4(8)2-20-22(17,18)6(12,13)14/h3-4H,1-2H2
InChIKey NUNCCZWTYUXQOB-UHFFFAOYSA-N
Mol Weight 512.03 g/mol
Molecular Formula C6H6Br2F6O6S2
Exact Mass 509.787675 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID lbVkNk3UVa
Name Methanesulfonic acid, trifluoro-, 2,3-dibromo-1,4-butanediyl ester
CAS Registry Number 100093-88-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6Br2F6O6S2
InChI InChI=1S/C6H6Br2F6O6S2/c7-3(1-19-21(15,16)5(9,10)11)4(8)2-20-22(17,18)6(12,13)14/h3-4H,1-2H2
InChIKey NUNCCZWTYUXQOB-UHFFFAOYSA-N
Molecular Weight 512.026 g/mol
SMILES C(S(OCC(C(COS(C(F)(F)F)(=O)=O)Br)Br)(=O)=O)(F)(F)F
SPLASH splash10-014i-9030000000-fe168f3e6124feba91d3
Source of Spectrum K-118-4294-4
Synonyms 2,3-Dibrombutan-1,4-diyl-bis(trifluormethansulfonat 2,3-Dibromo-4-{[(trifluoromethyl)sulfonyl]oxy}butyl trifluoromethanesulfonate
Wiley ID 1400415