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2,7-(Ethano[1,3]benzeno[1,3]benzenoethano)naphthalene, bis(methylsulfonyl)-
SpectraBase Compound ID AfSwcwobALa
InChI InChI=1S/C28H26O2S2/c1-31(29)27-15-20-6-4-8-22(14-20)21-7-3-5-19(13-21)9-10-24-16-26-17-25(27)12-11-23(26)18-28(24)32(2)30/h3-8,11-14,16-18,27H,9-10,15H2,1-2H3
InChIKey SXYFQGAWLHYLEF-UHFFFAOYSA-N
Mol Weight 458.63 g/mol
Molecular Formula C28H26O2S2
Exact Mass 458.137422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 95ytoR9WRlI
Name 2,7-(Ethano[1,3]benzeno[1,3]benzenoethano)naphthalene, bis(methylsulfonyl)-
CAS Registry Number 56596-42-0
Comments Less than 3 mono-isotopic peaks
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Formula C28H26O2S2
InChI InChI=1S/C28H26O2S2/c1-31(29)27-15-20-6-4-8-22(14-20)21-7-3-5-19(13-21)9-10-24-16-26-17-25(27)12-11-23(26)18-28(24)32(2)30/h3-8,11-14,16-18,27H,9-10,15H2,1-2H3
InChIKey SXYFQGAWLHYLEF-UHFFFAOYSA-N
Molecular Weight 458.634 g/mol
SMILES c1(c2cc3c(c1)ccc(C(S(=O)C)Cc1cccc(-c4cc(CC2)ccc4)c1)c3)S(=O)C
SPLASH splash10-001i-0009000000-610857582b7e6696c0cd
Source of Spectrum B-29-177-0
Synonyms 15,21-bis(methylsulfinyl)pentacyclo[14.5.3.1(4,8).1(9,13).0(19,23)]hexacosa-1(22),4(26),5,7,9(25),10,12,16,18,20,23-undecaene Bis(methylthio)[2,2](3,3')biphenyl(2,7)naphthalene S,S'-dioxide
Wiley ID 1389939