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3-(4-t-Butylphenyl)-3-[1,1,3,3-tetramethyl-4-(4-t-butylphenyl)-4-oxobutyl]dithiirane
SpectraBase Compound ID 7NhYKf3ubJC
InChI InChI=1S/C29H40OS2/c1-25(2,3)21-13-11-20(12-14-21)24(30)27(7,8)19-28(9,10)29(31-32-29)23-17-15-22(16-18-23)26(4,5)6/h11-18H,19H2,1-10H3
InChIKey BENCBTQWDMSKCR-UHFFFAOYSA-N
Mol Weight 468.8 g/mol
Molecular Formula C29H40OS2
Exact Mass 468.252058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MMKhFWiBM
Name 3-(4-t-Butylphenyl)-3-[1,1,3,3-tetramethyl-4-(4-t-butylphenyl)-4-oxobutyl]dithiirane
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Formula C29H40OS2
InChI InChI=1S/C29H40OS2/c1-25(2,3)21-13-11-20(12-14-21)24(30)27(7,8)19-28(9,10)29(31-32-29)23-17-15-22(16-18-23)26(4,5)6/h11-18H,19H2,1-10H3
InChIKey BENCBTQWDMSKCR-UHFFFAOYSA-N
Molecular Weight 468.758 g/mol
SMILES C1(SS1)(C(CC(C(c1ccc(C(C)(C)C)cc1)=O)(C)C)(C)C)c1ccc(C(C)(C)C)cc1
SPLASH splash10-0a4i-4291100000-6ce80c4ae5b73bd46d9a
Source of Spectrum AJ-70-520-16
Synonyms 1-(4-tert-butylphenyl)-4-[3-(4-tert-butylphenyl)-3-dithiiranyl]-2,2,4-trimethyl-1-pentanone
Wiley ID 773974