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NEOPENTYL_DIFLUORO-(3-PHENYLPHENYL)-METHANESULFONATE
SpectraBase Compound ID D59KQnHnAJM
InChI InChI=1S/C18H20F2O3S/c1-17(2,3)13-23-24(21,22)18(19,20)16-11-7-10-15(12-16)14-8-5-4-6-9-14/h4-12H,13H2,1-3H3
InChIKey NUCFBPCCVORHJT-UHFFFAOYSA-N
Mol Weight 354.41 g/mol
Molecular Formula C18H20F2O3S
Exact Mass 354.110122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C9Q8xgYJ9Yw
Name 2,2-dimethylpropyl bis(fluoranyl)-(3-phenylphenyl)methanesulfonate
Alternate Name(s) 2,2-dimethylpropyl difluoro-(3-phenylphenyl)methanesulfonate difluoro-(3-phenylphenyl)methanesulfonic acid 2,2-dimethylpropyl ester difluoro-(3-phenylphenyl)methanesulfonic acid neopentyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C18H20F2O3S
InChI InChI=1S/C18H20F2O3S/c1-17(2,3)13-23-24(21,22)18(19,20)16-11-7-10-15(12-16)14-8-5-4-6-9-14/h4-12H,13H2,1-3H3
InChIKey NUCFBPCCVORHJT-UHFFFAOYSA-N
Molecular Weight 354.412 g/mol
SMILES C(S(OCC(C)(C)C)(=O)=O)(c1cc(-c2ccccc2)ccc1)(F)F
SPLASH splash10-0udi-0090000000-f981cbfc44acca08c4bd
Source of Spectrum J-63-8056-40
Wiley ID 1344433