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3,10-Dithia-tricyclo[11.2.2.2*5,8*]nonadeca-1(16),5,7,13(17),14,18-hexaene-7,19-dicarboxylic acid dimethyl ester
SpectraBase Compound ID K7YJrWuI08S
InChI InChI=1S/C21H22O4S2/c1-24-20(22)18-10-17-13-27-11-15-5-3-14(4-6-15)7-8-26-12-16(18)9-19(17)21(23)25-2/h3-6,9-10H,7-8,11-13H2,1-2H3
InChIKey KXHROPMHBAPQAS-UHFFFAOYSA-N
Mol Weight 402.52 g/mol
Molecular Formula C21H22O4S2
Exact Mass 402.095952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8jkwPJC62YQ
Name 3,10-Dithia-tricyclo[11.2.2.2*5,8*]nonadeca-1(16),5,7,13(17),14,18-hexaene-7,19-dicarboxylic acid dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O4S2
InChI InChI=1S/C21H22O4S2/c1-24-20(22)18-10-17-13-27-11-15-5-3-14(4-6-15)7-8-26-12-16(18)9-19(17)21(23)25-2/h3-6,9-10H,7-8,11-13H2,1-2H3
InChIKey KXHROPMHBAPQAS-UHFFFAOYSA-N
Molecular Weight 402.523 g/mol
SMILES c1(cc2CSCc3ccc(CCSCc1cc2C(=O)OC)cc3)C(=O)OC
SPLASH splash10-0uk9-0094800000-f71dbd10ea1ba1191fc7
Source of Spectrum U1-2009-235-36
Synonyms Dimethyl 2,12-Dithia[4.3]paracyclophane-15,18-dicarboxylate
Wiley ID 1662383