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4,12-Dithiatricyclo[13.2.2.16,10]eicosa-6(20),7,9,15,17,18-hexaene, 8,16,18,20-tetramethoxy-
SpectraBase Compound ID 4vob47LSTGz
InChI InChI=1S/C22H28O4S2/c1-23-19-9-17-13-27-7-5-15-12-21(25-3)16(11-20(15)24-2)6-8-28-14-18(10-19)22(17)26-4/h9-12H,5-8,13-14H2,1-4H3
InChIKey VMFYNZNDRMEWAR-UHFFFAOYSA-N
Mol Weight 420.58 g/mol
Molecular Formula C22H28O4S2
Exact Mass 420.142902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 29CAR3rFoND
Name 4,12-Dithiatricyclo[13.2.2.16,10]eicosa-6(20),7,9,15,17,18-hexaene, 8,16,18,20-tetramethoxy-
CAS Registry Number 95684-31-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O4S2
InChI InChI=1S/C22H28O4S2/c1-23-19-9-17-13-27-7-5-15-12-21(25-3)16(11-20(15)24-2)6-8-28-14-18(10-19)22(17)26-4/h9-12H,5-8,13-14H2,1-4H3
InChIKey VMFYNZNDRMEWAR-UHFFFAOYSA-N
Molecular Weight 420.582 g/mol
SMILES c12c(c(CSCCc3cc(c(CCSC2)cc3OC)OC)cc(c1)OC)OC
SPLASH splash10-00di-0710900000-3bc452bb1ba5637f7455
Source of Spectrum K-118-812-9
Synonyms 6,9,17,20-Tetramethoxy-2,13-dithia[4.4]metaparacyclophane 8,16,18,20-tetramethoxy-4,12-dithiatricyclo[13.2.2.1(6,10)]icosa-1(17),6(20),7,9,15,18-hexaene
Wiley ID 1377899