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NEOPENTYL_DIFLUORO-(4-BROMOPHENYL)-METHANESULFONATE
SpectraBase Compound ID 9JV8MiIOEAd
InChI InChI=1S/C12H15BrF2O3S/c1-11(2,3)8-18-19(16,17)12(14,15)9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3
InChIKey IRLQIQWTNWHTTL-UHFFFAOYSA-N
Mol Weight 357.21 g/mol
Molecular Formula C12H15BrF2O3S
Exact Mass 355.989335 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2U9LbnmDwxA
Name (4-bromophenyl)-difluoro-methanesulfonic acid neopentyl ester
Alternate Name(s) (4-bromophenyl)-difluoromethanesulfonic acid 2,2-dimethylpropyl ester 2,2-dimethylpropyl (4-bromophenyl)-bis(fluoranyl)methanesulfonate 2,2-dimethylpropyl (4-bromophenyl)-difluoro-methanesulfonate
Comments Less than 3 mono-isotopic peaks
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Formula C12H15BrF2O3S
InChI InChI=1S/C12H15BrF2O3S/c1-11(2,3)8-18-19(16,17)12(14,15)9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3
InChIKey IRLQIQWTNWHTTL-UHFFFAOYSA-N
Molecular Weight 357.210 g/mol
SMILES C(S(OCC(C)(C)C)(=O)=O)(c1ccc(cc1)Br)(F)F
SPLASH splash10-0a6r-0690000000-4441fecb69654b5c7df6
Source of Spectrum J-63-8056-36
Wiley ID 1345484