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2,14,21,33-tetrathia-5,8,11,24,27,30-hexaoxatricyclo[32.4.1.1(15,20)]tetraconta-1(38),15,17,19,34,36-hexaene-39,40-dione
SpectraBase Compound ID GEhnbm3lTHv
InChI InChI=1S/C30H40O8S4/c31-29-25-5-1-2-6-26(29)40-22-18-36-14-10-34-12-16-38-20-24-42-28-8-4-3-7-27(30(28)32)41-23-19-37-15-11-33-9-13-35-17-21-39-25/h1-8H,9-24H2
InChIKey LJZZZZNQOSJFQJ-UHFFFAOYSA-N
Mol Weight 656.9 g/mol
Molecular Formula C30H40O8S4
Exact Mass 656.160603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9wXA1r3FcoM
Name 2,14,21,33-tetrathia-5,8,11,24,27,30-hexaoxatricyclo[32.4.1.1(15,20)]tetraconta-1(38),15,17,19,34,36-hexaene-39,40-dione
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Formula C30H40O8S4
InChI InChI=1S/C30H40O8S4/c31-29-25-5-1-2-6-26(29)40-22-18-36-14-10-34-12-16-38-20-24-42-28-8-4-3-7-27(30(28)32)41-23-19-37-15-11-33-9-13-35-17-21-39-25/h1-8H,9-24H2
InChIKey LJZZZZNQOSJFQJ-UHFFFAOYSA-N
Molecular Weight 656.882 g/mol
SMILES C1(C=2SCCOCCOCCOCCSC3=CC=CC=C(C3=O)SCCOCCOCCOCCSC1=CC=CC2)=O
SPLASH splash10-0002-5952001000-a9c54bec77bee61ee030
Source of Spectrum AJ-66-3454-4
Synonyms 2,14,21,24,33-tetrathia-5,8,11,24,27,30-hexaoxatricyclo[32.4.1.1(15,20)]tetracontanhexaene-39,40-dione 5,8,11,24,27,30-hexaoxa-2,14,21,33-tetrathiatricyclo[32.4.1.1(15,20)]tetraconta-1(38),15,17,19,34,36-hexaene-39,40-dione
Wiley ID 772414