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Methyl 5-bromo-2-(((trifluoromethyl)sulfonyl)oxy) benzoate
SpectraBase Compound ID 5D4SGg7UspB
InChI InChI=1S/C9H6BrF3O5S/c1-17-8(14)6-4-5(10)2-3-7(6)18-19(15,16)9(11,12)13/h2-4H,1H3
InChIKey XVAQKDQCSBWRID-UHFFFAOYSA-N
Mol Weight 363.1 g/mol
Molecular Formula C9H6BrF3O5S
Exact Mass 361.907142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 96QXIcuWMPx
Name Methyl 5-bromo-2-(((trifluoromethyl)sulfonyl)oxy) benzoate
Alternate Name(s) Methyl 5-bromo-2-(((trifluoromethyl)sulfonyl)oxy)benzoate
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Formula C9H6BrF3O5S
InChI InChI=1S/C9H6BrF3O5S/c1-17-8(14)6-4-5(10)2-3-7(6)18-19(15,16)9(11,12)13/h2-4H,1H3
InChIKey XVAQKDQCSBWRID-UHFFFAOYSA-N
Molecular Weight 363.101 g/mol
SMILES c1c(ccc(OS(C(F)(F)F)(=O)=O)c1C(OC)=O)Br
SPLASH splash10-02t9-0069000000-d73b20844815db01bae5
Source of Spectrum A1-17-4550/SM18-3c
Wiley ID 1802393