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17,20-Bis(methoxycarbonyl)-2,14-dithia[5.4]paracyclophane 2,2,14,14-tetraoxide
SpectraBase Compound ID HO7KN2A4OwW
InChI InChI=1S/C23H26O8S2/c1-30-22(24)20-13-19-15-33(28,29)11-9-17-7-5-16(6-8-17)4-3-10-32(26,27)14-18(20)12-21(19)23(25)31-2/h5-8,12-13H,3-4,9-11,14-15H2,1-2H3
InChIKey JUPTYJUQOFMZLK-UHFFFAOYSA-N
Mol Weight 494.57 g/mol
Molecular Formula C23H26O8S2
Exact Mass 494.10691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID COCMcTKV2cM
Name 17,20-Bis(methoxycarbonyl)-2,14-dithia[5.4]paracyclophane 2,2,14,14-tetraoxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26O8S2
InChI InChI=1S/C23H26O8S2/c1-30-22(24)20-13-19-15-33(28,29)11-9-17-7-5-16(6-8-17)4-3-10-32(26,27)14-18(20)12-21(19)23(25)31-2/h5-8,12-13H,3-4,9-11,14-15H2,1-2H3
InChIKey JUPTYJUQOFMZLK-UHFFFAOYSA-N
Molecular Weight 494.573 g/mol
SMILES C1S(CCc2ccc(CCCS(Cc3cc(c1cc3C(=O)OC)C(=O)OC)(=O)=O)cc2)(=O)=O
SPLASH splash10-066r-0396500000-16e1542842f74fafe8fd
Source of Spectrum U1-2009-236-0
Synonyms 3,3,13,13-Tetraoxo-3lambda*6*,13lambda*6*-dithia-tricyclo[13.2.2.2*69*]henicosa-1(17),6(21),7,9(20),15,18-hexaene-16,18-dicarboxylic aciddimethyl ester
Wiley ID 1662377