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1-Propanethione, 1-[2,4-bis(4-chlorophenyl)-6-(1,1-dimethylethyl)-3,4-dihydro-2H-thiopyran-3-yl]-2,2-dimethyl-
SpectraBase Compound ID 58s5spbv3nV
InChI InChI=1S/C26H30Cl2S2/c1-25(2,3)21-15-20(16-7-11-18(27)12-8-16)22(24(29)26(4,5)6)23(30-21)17-9-13-19(28)14-10-17/h7-15,20,22-23H,1-6H3
InChIKey GHQXZBJZOVGZOG-UHFFFAOYSA-N
Mol Weight 477.55 g/mol
Molecular Formula C26H30Cl2S2
Exact Mass 476.116599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BoRqlJtDPX2
Name 1-Propanethione, 1-[2,4-bis(4-chlorophenyl)-6-(1,1-dimethylethyl)-3,4-dihydro-2H-thiopyran-3-yl]-2,2-dimethyl-
Alternate Name(s) 2H-Thiopyran, 1-propanethione deriv. 1-[6-tert-butyl-2,4-bis(4-chlorophenyl)-3,4-dihydro-2H-thiopyran-3-yl]-2,2-dimethyl-1-propanethione 6-t-butyl-3-[t-butyl(thiocarbonyl)]-2,4-bis(p-chlorophenyl)-3,4-dihydro-2H-thiin
CAS Registry Number 105867-47-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30Cl2S2
InChI InChI=1S/C26H30Cl2S2/c1-25(2,3)21-15-20(16-7-11-18(27)12-8-16)22(24(29)26(4,5)6)23(30-21)17-9-13-19(28)14-10-17/h7-15,20,22-23H,1-6H3
InChIKey GHQXZBJZOVGZOG-UHFFFAOYSA-N
Molecular Weight 477.552 g/mol
SMILES C1(C(SC(=CC1c1ccc(cc1)Cl)C(C)(C)C)c1ccc(cc1)Cl)C(C(C)(C)C)=S
SPLASH splash10-001i-0920000000-3d1539ed129648503fcc
Source of Spectrum AJ-59-65-6
Wiley ID 1394296