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5,5-Diethyl-2-phenethyl-1,3-dithiane-1,1-dioxide
SpectraBase Compound ID 9D5mQseyuDK
InChI InChI=1S/C16H24O2S2/c1-3-16(4-2)12-19-15(20(17,18)13-16)11-10-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3
InChIKey CLCMUVONLLPFPP-UHFFFAOYSA-N
Mol Weight 312.49 g/mol
Molecular Formula C16H24O2S2
Exact Mass 312.121772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2GBgD6GxSC
Name 5,5-Diethyl-2-phenethyl-1,3-dithiane-1,1-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O2S2
InChI InChI=1S/C16H24O2S2/c1-3-16(4-2)12-19-15(20(17,18)13-16)11-10-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3
InChIKey CLCMUVONLLPFPP-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol403041k
Molecular Weight 312.486 g/mol
SMILES C1(S(CC(CS1)(CC)CC)(=O)=O)CCc1ccccc1
SPLASH splash10-00kf-3920000000-966565d1598138e4f794
Source of Spectrum A1-16-70/SMS33-19
Synonyms 5,5-Diethyl-2-phenethyl-1,3-dithiane 1,1-dioxide
Wiley ID 1747609