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3-(4-Methylphenyl)-3-[1,1,3,3-tetramethyl-4-(4-methylphenyl)-4-oxobutyl]dithiirane
SpectraBase Compound ID CJeub90zfdo
InChI InChI=1S/C23H28OS2/c1-16-7-11-18(12-8-16)20(24)21(3,4)15-22(5,6)23(25-26-23)19-13-9-17(2)10-14-19/h7-14H,15H2,1-6H3
InChIKey JNOKUSRCUKTBBT-UHFFFAOYSA-N
Mol Weight 384.6 g/mol
Molecular Formula C23H28OS2
Exact Mass 384.158158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FXhU8FxHsg9
Name 3-(4-Methylphenyl)-3-[1,1,3,3-tetramethyl-4-(4-methylphenyl)-4-oxobutyl]dithiirane
Alternate Name(s) 2,2,4-trimethyl-1-(4-methylphenyl)-4-[3-(4-methylphenyl)-3-dithiiranyl]-1-pentanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28OS2
InChI InChI=1S/C23H28OS2/c1-16-7-11-18(12-8-16)20(24)21(3,4)15-22(5,6)23(25-26-23)19-13-9-17(2)10-14-19/h7-14H,15H2,1-6H3
InChIKey JNOKUSRCUKTBBT-UHFFFAOYSA-N
Molecular Weight 384.596 g/mol
SMILES C1(SS1)(C(CC(C(c1ccc(cc1)C)=O)(C)C)(C)C)c1ccc(cc1)C
SPLASH splash10-014i-0940000000-29cdd5aed00f2d7a3830
Source of Spectrum AJ-70-519-15
Wiley ID 773975