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2,12-Dithia[4.3]paracyclophane 2,2,12,12-Tetraoxide
SpectraBase Compound ID 84Rv4SxuCgQ
InChI InChI=1S/C17H18O4S2/c18-22(19)10-9-14-1-3-16(4-2-14)12-23(20,21)13-17-7-5-15(11-22)6-8-17/h1-8H,9-13H2
InChIKey SOCHRRAJOPBVNK-UHFFFAOYSA-N
Mol Weight 350.45 g/mol
Molecular Formula C17H18O4S2
Exact Mass 350.064651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FtBAn8otv2E
Name 2,12-Dithia[4.3]paracyclophane 2,2,12,12-Tetraoxide
Alternate Name(s) 3,10-Dithia-tricyclo[11.2.2.2*5,8*]nonadeca-1(16),5,7,13(17),14,18-hexaene 3,3,10,10-tetraoxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O4S2
InChI InChI=1S/C17H18O4S2/c18-22(19)10-9-14-1-3-16(4-2-14)12-23(20,21)13-17-7-5-15(11-22)6-8-17/h1-8H,9-13H2
InChIKey SOCHRRAJOPBVNK-UHFFFAOYSA-N
Molecular Weight 350.447 g/mol
SMILES C1S(=O)(=O)Cc2ccc(CS(CCc3ccc1cc3)(=O)=O)cc2
SPLASH splash10-014i-0910000000-36faf067f3a4e92ba221
Source of Spectrum U1-2009-233-9
Wiley ID 1662397