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1,8-Diphthalimido-3,6-dithioctane, 3,6-di-dioxide
SpectraBase Compound ID DGMejVdX1CO
InChI InChI=1S/C22H20N2O8S2/c25-19-15-5-1-2-6-16(15)20(26)23(19)9-11-33(29,30)13-14-34(31,32)12-10-24-21(27)17-7-3-4-8-18(17)22(24)28/h1-8H,9-14H2
InChIKey OIOURDOXKQKICY-UHFFFAOYSA-N
Mol Weight 504.53 g/mol
Molecular Formula C22H20N2O8S2
Exact Mass 504.066108 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I9zRxy6ts5F
Name 1,8-Diphthalimido-3,6-dithioctane, 3,6-di-dioxide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 504.066107952 u
Formula C22H20N2O8S2
InChI InChI=1S/C22H20N2O8S2/c25-19-15-5-1-2-6-16(15)20(26)23(19)9-11-33(29,30)13-14-34(31,32)12-10-24-21(27)17-7-3-4-8-18(17)22(24)28/h1-8H,9-14H2
InChIKey OIOURDOXKQKICY-UHFFFAOYSA-N
Molecular Weight 504.528 g/mol
SMILES C12=CC=CC=C2C(=O)N(C1=O)CCS(=O)(=O)CCS(=O)(=O)CCN1C(C2=C(C=CC=C2)C1=O)=O