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4,6-bis(4'-Methylphenyl)-3,7-dithiatricyclo[4.4.0.0(2,8)]deca-4,9-diene

View entire compound with spectra: 1 MS (GC)

4,6-bis(4'-Methylphenyl)-3,7-dithiatricyclo[4.4.0.0(2,8)]deca-4,9-diene
SpectraBase Compound ID Ca5pWruwQq0
InChI InChI=1S/C22H20S2/c1-14-3-7-16(8-4-14)20-13-22(17-9-5-15(2)6-10-17)18-11-12-19(24-22)21(18)23-20/h3-13,18-19,21H,1-2H3/t18-,19+,21-,22-/m0/s1
InChIKey IHLRCLPROYMKKE-MXNKGDRCSA-N
Mol Weight 348.52 g/mol
Molecular Formula C22H20S2
Exact Mass 348.100643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DFW5vMKrU39
Name 4,6-bis(4'-Methylphenyl)-3,7-dithiatricyclo[4.4.0.0(2,8)]deca-4,9-diene
Alternate Name(s) 4,6-bis(4-methylphenyl)-3,7-dithiatricyclo[4.4.0.0(2,8)]deca-4,9-diene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20S2
InChI InChI=1S/C22H20S2/c1-14-3-7-16(8-4-14)20-13-22(17-9-5-15(2)6-10-17)18-11-12-19(24-22)21(18)23-20/h3-13,18-19,21H,1-2H3/t18-,19+,21-,22-/m0/s1
InChIKey IHLRCLPROYMKKE-MXNKGDRCSA-N
Molecular Weight 348.522 g/mol
SMILES [C@]12(C=C(c3ccc(cc3)C)S[C@]3([C@@]1(C=C[C@]3(S2)[H])[H])[H])c1ccc(cc1)C
SPLASH splash10-03di-0009000000-bbcaf5ebadbd406f87ae
Source of Spectrum U-1997-224-6
Wiley ID 769386