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3,14-Dithia-tricyclo[14.2.2.2*7,10*]docosa-1(19),7,9,16(20),17,21-hexaene-17,19-dicarboxylic acid dimethyl ester
SpectraBase Compound ID DUvEZaugmmQ
InChI InChI=1S/C24H28O4S2/c1-27-23(25)21-13-20-16-30-12-4-6-18-9-7-17(8-10-18)5-3-11-29-15-19(21)14-22(20)24(26)28-2/h7-10,13-14H,3-6,11-12,15-16H2,1-2H3
InChIKey GOCPBIBDBMORQT-UHFFFAOYSA-N
Mol Weight 444.6 g/mol
Molecular Formula C24H28O4S2
Exact Mass 444.142902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1mi59B8vcpt
Name 3,14-Dithia-tricyclo[14.2.2.2*7,10*]docosa-1(19),7,9,16(20),17,21-hexaene-17,19-dicarboxylic acid dimethyl ester
Alternate Name(s) Dimethyl 2,15-Dithia[5.5]paracyclophane-18,21-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H28O4S2
InChI InChI=1S/C24H28O4S2/c1-27-23(25)21-13-20-16-30-12-4-6-18-9-7-17(8-10-18)5-3-11-29-15-19(21)14-22(20)24(26)28-2/h7-10,13-14H,3-6,11-12,15-16H2,1-2H3
InChIKey GOCPBIBDBMORQT-UHFFFAOYSA-N
Molecular Weight 444.604 g/mol
SMILES c1(cc2CSCCCc3ccc(CCCSCc1cc2C(=O)OC)cc3)C(=O)OC
SPLASH splash10-006x-0390800000-72a50eb3e854a6415d66
Source of Spectrum U1-2009-235-39
Wiley ID 1662380