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1,7,20,26-Tetraoxa-4,23-dithiacyclooctatriacontane, 4,23-dioxide

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1,7,20,26-Tetraoxa-4,23-dithiacyclooctatriacontane, 4,23-dioxide
SpectraBase Compound ID 2wKHHuG733I
InChI InChI=1S/C32H64O6S2/c33-39-29-25-35-21-17-13-9-5-1-2-6-10-14-18-22-36-26-30-40(34)32-28-38-24-20-16-12-8-4-3-7-11-15-19-23-37-27-31-39/h1-32H2
InChIKey ITSFWRDQQPQRNG-UHFFFAOYSA-N
Mol Weight 609.0 g/mol
Molecular Formula C32H64O6S2
Exact Mass 608.414432 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5QwCprOyksB
Name 1,7,20,26-Tetraoxa-4,23-dithiacyclooctatriacontane, 4,23-dioxide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 608.414432123 u
Formula C32H64O6S2
InChI InChI=1S/C32H64O6S2/c33-39-29-25-35-21-17-13-9-5-1-2-6-10-14-18-22-36-26-30-40(34)32-28-38-24-20-16-12-8-4-3-7-11-15-19-23-37-27-31-39/h1-32H2
InChIKey ITSFWRDQQPQRNG-UHFFFAOYSA-N
Molecular Weight 608.978 g/mol
SMILES C1S(=O)CCOCCCCCCCCCCCCOCCS(CCOCCCCCCCCCCCCOC1)=O