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15,18-Bis(methoxycarbonyl)-2,12-dithia[4.3]paracyclophane 2,2,12,12-tetraoxide
SpectraBase Compound ID KSijngr2p1T
InChI InChI=1S/C21H22O8S2/c1-28-20(22)18-10-17-13-31(26,27)11-15-5-3-14(4-6-15)7-8-30(24,25)12-16(18)9-19(17)21(23)29-2/h3-6,9-10H,7-8,11-13H2,1-2H3
InChIKey RBHJWEGCVKWIJB-UHFFFAOYSA-N
Mol Weight 466.52 g/mol
Molecular Formula C21H22O8S2
Exact Mass 466.07561 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HVrCYCHOCw2
Name 15,18-Bis(methoxycarbonyl)-2,12-dithia[4.3]paracyclophane 2,2,12,12-tetraoxide
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Formula C21H22O8S2
InChI InChI=1S/C21H22O8S2/c1-28-20(22)18-10-17-13-31(26,27)11-15-5-3-14(4-6-15)7-8-30(24,25)12-16(18)9-19(17)21(23)29-2/h3-6,9-10H,7-8,11-13H2,1-2H3
InChIKey RBHJWEGCVKWIJB-UHFFFAOYSA-N
Molecular Weight 466.519 g/mol
SMILES C1S(Cc2ccc(CCS(Cc3cc(c1cc3C(=O)OC)C(=O)OC)(=O)=O)cc2)(=O)=O
SPLASH splash10-00dl-0390000000-352f8abaf58e94581b7d
Source of Spectrum U1-2009-235-a
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-7,19-dicarboxylic acid dimethyl ester
Wiley ID 1662379