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16-Methoxycarbonyl-2,12-dithia[4.3]paracyclophane 2,2,12,12-Tetraoxide
SpectraBase Compound ID Lcr4T7vgsCY
InChI InChI=1S/C19H20O6S2/c1-25-19(20)18-10-16-6-7-17(18)13-26(21,22)9-8-14-2-4-15(5-3-14)11-27(23,24)12-16/h2-7,10H,8-9,11-13H2,1H3
InChIKey OIFRMVXEEZMARB-UHFFFAOYSA-N
Mol Weight 408.48 g/mol
Molecular Formula C19H20O6S2
Exact Mass 408.070131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ngr87nLP2
Name 16-Methoxycarbonyl-2,12-dithia[4.3]paracyclophane 2,2,12,12-Tetraoxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20O6S2
InChI InChI=1S/C19H20O6S2/c1-25-19(20)18-10-16-6-7-17(18)13-26(21,22)9-8-14-2-4-15(5-3-14)11-27(23,24)12-16/h2-7,10H,8-9,11-13H2,1H3
InChIKey OIFRMVXEEZMARB-UHFFFAOYSA-N
Molecular Weight 408.483 g/mol
SMILES C1S(=O)(=O)Cc2ccc(CCS(Cc3c(cc1cc3)C(=O)OC)(=O)=O)cc2
SPLASH splash10-014i-0930000000-5e07e7eef8ff66fbe232
Source of Spectrum U1-2009-233-32
Synonyms 3,3,10,10-Tetraoxo-3lambda*6*,10lambda*6*-dithia-tricyclo[11.2.2.2*5,8*]nonadeca-1(16),5,7,13(17),14,18-hexaene-18-carboxylic acid methyl ester
Wiley ID 1662392