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5-tert-butyl-2-(4-fluorophenyl)-1,3-dithiane 1,1,3,3-tetraoxide
SpectraBase Compound ID qzif6QC21k
InChI InChI=1S/C14H19FO4S2/c1-14(2,3)11-8-20(16,17)13(21(18,19)9-11)10-4-6-12(15)7-5-10/h4-7,11,13H,8-9H2,1-3H3
InChIKey PMAZLRYYPLBLBN-UHFFFAOYSA-N
Mol Weight 334.42 g/mol
Molecular Formula C14H19FO4S2
Exact Mass 334.07088 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vXUqB7R7gK
Name 5-tert-butyl-2-(4-fluorophenyl)-1,3-dithiane 1,1,3,3-tetraoxide
Comments Less than 3 mono-isotopic peaks
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Formula C14H19FO4S2
InChI InChI=1S/C14H19FO4S2/c1-14(2,3)11-8-20(16,17)13(21(18,19)9-11)10-4-6-12(15)7-5-10/h4-7,11,13H,8-9H2,1-3H3
InChIKey PMAZLRYYPLBLBN-UHFFFAOYSA-N
Molecular Weight 334.420 g/mol
SMILES C1(S(CC(CS1(=O)=O)C(C)(C)C)(=O)=O)c1ccc(cc1)F
SPLASH splash10-00di-0902000000-6a0a4eef49213130acfa
Source of Spectrum E1-38-2669-10
Wiley ID 1598499