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1-Propanethione, 1-[6-(1,1-dimethylethyl)-3,4-dihydro-2,4-bis(4-methylphenyl)-2H-thiopyran-3-yl]-2,2-dimethyl-
SpectraBase Compound ID LhJBtoWlXfO
InChI InChI=1S/C28H36S2/c1-18-9-13-20(14-10-18)22-17-23(27(3,4)5)30-25(21-15-11-19(2)12-16-21)24(22)26(29)28(6,7)8/h9-17,22,24-25H,1-8H3
InChIKey AQIBFXVBUOOKFS-UHFFFAOYSA-N
Mol Weight 436.7 g/mol
Molecular Formula C28H36S2
Exact Mass 436.225844 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkjI8z9OpIE
Name 1-Propanethione, 1-[6-(1,1-dimethylethyl)-3,4-dihydro-2,4-bis(4-methylphenyl)-2H-thiopyran-3-yl]-2,2-dimethyl-
Alternate Name(s) 2H-Thiopyran, 1-propanethione deriv. 1-[6-tert-butyl-2,4-bis(4-methylphenyl)-3,4-dihydro-2H-thiopyran-3-yl]-2,2-dimethyl-1-propanethione 6-t-butyl-3-[t-butyl(thiocarbonyl)]-2,4-bis(p-tolyl)-3,4-dihydro-2H-thiin
CAS Registry Number 105867-45-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H36S2
InChI InChI=1S/C28H36S2/c1-18-9-13-20(14-10-18)22-17-23(27(3,4)5)30-25(21-15-11-19(2)12-16-21)24(22)26(29)28(6,7)8/h9-17,22,24-25H,1-8H3
InChIKey AQIBFXVBUOOKFS-UHFFFAOYSA-N
Molecular Weight 436.716 g/mol
SMILES C1(C(SC(=CC1c1ccc(cc1)C)C(C)(C)C)c1ccc(cc1)C)C(C(C)(C)C)=S
SPLASH splash10-03di-0920000000-f34c0c05bd9d0c4efb65
Source of Spectrum AJ-59-65-6
Wiley ID 1383660