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NEOPENTYL_DIFLUORO-(4-METHYLPHENYL)-METHANESULFONATE
SpectraBase Compound ID FLIY5NusedP
InChI InChI=1S/C13H18F2O3S/c1-10-5-7-11(8-6-10)13(14,15)19(16,17)18-9-12(2,3)4/h5-8H,9H2,1-4H3
InChIKey OKDKBTKWAXKIEY-UHFFFAOYSA-N
Mol Weight 292.34 g/mol
Molecular Formula C13H18F2O3S
Exact Mass 292.094472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jr0IgmewOgc
Name 2,2-dimethylpropyl bis(fluoranyl)-(4-methylphenyl)methanesulfonate
Alternate Name(s) 2,2-dimethylpropyl difluoro(p-tolyl)methanesulfonate 2,2-dimethylpropyl difluoro-(4-methylphenyl)methanesulfonate difluoro(p-tolyl)methanesulfonic acid neopentyl ester difluoro-(4-methylphenyl)methanesulfonic acid 2,2-dimethylpropyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C13H18F2O3S
InChI InChI=1S/C13H18F2O3S/c1-10-5-7-11(8-6-10)13(14,15)19(16,17)18-9-12(2,3)4/h5-8H,9H2,1-4H3
InChIKey OKDKBTKWAXKIEY-UHFFFAOYSA-N
Molecular Weight 292.341 g/mol
SMILES C(S(OCC(C)(C)C)(=O)=O)(c1ccc(cc1)C)(F)F
SPLASH splash10-0006-0900000000-f7a53e5fab6beb957954
Source of Spectrum J-63-8056-38
Wiley ID 1295078