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15,36-Diisopropyl-2,8,14,21,33-tetrathia-5,8,11,24,27,30-hexaoxatricyclo[20.4.1.1(9,14)]tetracosanhexaene-39,40-dione
SpectraBase Compound ID F1rFgPOHXS1
InChI InChI=1S/C36H52O8S4/c1-27(2)29-5-7-31-35(37)33(25-29)47-23-19-43-15-11-39-10-14-42-18-22-46-32-8-6-30(28(3)4)26-34(36(32)38)48-24-20-44-16-12-40-9-13-41-17-21-45-31/h5-8,25-28H,9-24H2,1-4H3
InChIKey KVUIIZJUFGIXAG-UHFFFAOYSA-N
Mol Weight 741.0 g/mol
Molecular Formula C36H52O8S4
Exact Mass 740.254503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LrBpx3oadlo
Name 15,36-Diisopropyl-2,8,14,21,33-tetrathia-5,8,11,24,27,30-hexaoxatricyclo[20.4.1.1(9,14)]tetracosanhexaene-39,40-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H52O8S4
InChI InChI=1S/C36H52O8S4/c1-27(2)29-5-7-31-35(37)33(25-29)47-23-19-43-15-11-39-10-14-42-18-22-46-32-8-6-30(28(3)4)26-34(36(32)38)48-24-20-44-16-12-40-9-13-41-17-21-45-31/h5-8,25-28H,9-24H2,1-4H3
InChIKey KVUIIZJUFGIXAG-UHFFFAOYSA-N
Molecular Weight 741.044 g/mol
SMILES C1=2C(C(=CC=C(C2)C(C)C)SCCOCCOCCOCCSC=2C(C(SCCOCCOCCOCCS1)=CC=C(C(C)C)C2)=O)=O
SPLASH splash10-03di-9041000000-1ef10609f942d5631f06
Source of Spectrum AJ-66-3455-7
Synonyms 17,36-diisopropyl-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 772406