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4-Benzyl-4-(phenylsulfonyl)-3-(phenylthio)-2-sulfolene
SpectraBase Compound ID KjtWDI2ZpyZ
InChI InChI=1S/C23H20O4S3/c24-29(25)17-22(28-20-12-6-2-7-13-20)23(18-29,16-19-10-4-1-5-11-19)30(26,27)21-14-8-3-9-15-21/h1-15,17H,16,18H2
InChIKey PNYSNJQJFQAJOV-UHFFFAOYSA-N
Mol Weight 456.59 g/mol
Molecular Formula C23H20O4S3
Exact Mass 456.052373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IOfeHMfzSwk
Name 4-Benzyl-4-(phenylsulfonyl)-3-(phenylthio)-2-sulfolene
Alternate Name(s) 3-Benzyl-1,1-dioxido-4-(phenylsulfanyl)-2,3-dihydro-3-thienyl phenyl sulfone 3-Benzyl-4-(phenylsulfanyl)-3-(phenylsulfonyl)-2,3-dihydrothiophene 1,1-dioxide
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Formula C23H20O4S3
InChI InChI=1S/C23H20O4S3/c24-29(25)17-22(28-20-12-6-2-7-13-20)23(18-29,16-19-10-4-1-5-11-19)30(26,27)21-14-8-3-9-15-21/h1-15,17H,16,18H2
InChIKey PNYSNJQJFQAJOV-UHFFFAOYSA-N
Molecular Weight 456.589 g/mol
SMILES C1(S(=O)(=O)c2ccccc2)(C(=CS(C1)(=O)=O)Sc1ccccc1)Cc1ccccc1
SPLASH splash10-014l-9833200000-2b2d15694fced7e4ecd2
Source of Spectrum QA-40-465-11
Wiley ID 861681