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3,10-Dithia-tricyclo[12.2.2.2*5,8*]icosa-1(17),5(20),6,8(19),14(18),15-hexaene-6,19-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 84oAl0Eq5Nd
InChI InChI=1S/C22H24O4S2/c1-25-21(23)19-11-18-14-28-12-16-7-5-15(6-8-16)4-3-9-27-13-17(19)10-20(18)22(24)26-2/h5-8,10-11H,3-4,9,12-14H2,1-2H3
InChIKey QMNGBJHATZHPAS-UHFFFAOYSA-N
Mol Weight 416.55 g/mol
Molecular Formula C22H24O4S2
Exact Mass 416.111602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1lucsy781iF
Name 3,10-Dithia-tricyclo[12.2.2.2*5,8*]icosa-1(17),5(20),6,8(19),14(18),15-hexaene-6,19-dicarboxylic acid dimethyl ester
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Formula C22H24O4S2
InChI InChI=1S/C22H24O4S2/c1-25-21(23)19-11-18-14-28-12-16-7-5-15(6-8-16)4-3-9-27-13-17(19)10-20(18)22(24)26-2/h5-8,10-11H,3-4,9,12-14H2,1-2H3
InChIKey QMNGBJHATZHPAS-UHFFFAOYSA-N
Molecular Weight 416.550 g/mol
SMILES c1(cc2CSCc3ccc(CCCSCc1cc2C(=O)OC)cc3)C(=O)OC
SPLASH splash10-044i-0791400000-d4cd9acd4a05a54ece7d
Source of Spectrum U1-2009-235-37
Synonyms Dimethyl 2,13-Dithia[5.3]paracyclophane-16,19-dicarboxylate
Wiley ID 1662382