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4,4-Dimethyl-3-(2-phenyl-1,3-dithian-2-yl)cyclohexanone

View entire compound with spectra: 1 MS (GC)

4,4-Dimethyl-3-(2-phenyl-1,3-dithian-2-yl)cyclohexanone
SpectraBase Compound ID 3aPrCZOJSrR
InChI InChI=1S/C18H24OS2/c1-17(2)10-9-15(19)13-16(17)18(20-11-6-12-21-18)14-7-4-3-5-8-14/h3-5,7-8,16H,6,9-13H2,1-2H3
InChIKey ZMXLAXKWOYVUAB-UHFFFAOYSA-N
Mol Weight 320.51 g/mol
Molecular Formula C18H24OS2
Exact Mass 320.126858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JekgrC7IkCx
Name 4,4-Dimethyl-3-(2-phenyl-1,3-dithian-2-yl)cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24OS2
InChI InChI=1S/C18H24OS2/c1-17(2)10-9-15(19)13-16(17)18(20-11-6-12-21-18)14-7-4-3-5-8-14/h3-5,7-8,16H,6,9-13H2,1-2H3
InChIKey ZMXLAXKWOYVUAB-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol403041k
Molecular Weight 320.509 g/mol
SMILES C1(C(CC(CC1)=O)C1(SCCCS1)c1ccccc1)(C)C
SPLASH splash10-0002-2900000000-c5ab85ab40f348605ce3
Source of Spectrum A1-16-70/SMS12-3e
Wiley ID 1747615