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NEOPENTYL_MONOFLUORO-(PHENYL)-METHANESULFONATE
SpectraBase Compound ID K9MJf5bN74X
InChI InChI=1S/C12H17FO3S/c1-12(2,3)9-16-17(14,15)11(13)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
InChIKey UTLLKSLKEZDGDV-UHFFFAOYSA-N
Mol Weight 260.32 g/mol
Molecular Formula C12H17FO3S
Exact Mass 260.088244 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GG2PswHp6HC
Name 2,2-dimethylpropyl fluoranyl(phenyl)methanesulfonate
Alternate Name(s) 2,2-dimethylpropyl fluoro(phenyl)methanesulfonate fluoro(phenyl)methanesulfonic acid 2,2-dimethylpropyl ester fluoro(phenyl)methanesulfonic acid neopentyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C12H17FO3S
InChI InChI=1S/C12H17FO3S/c1-12(2,3)9-16-17(14,15)11(13)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
InChIKey UTLLKSLKEZDGDV-UHFFFAOYSA-N
Molecular Weight 260.323 g/mol
SMILES C(S(OCC(C)(C)C)(=O)=O)(c1ccccc1)F
SPLASH splash10-0a4i-2900000000-72ba5ba3439a68e60e4e
Source of Spectrum J-63-8056-32
Wiley ID 1263345