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(3aS,8aS)-Hexahydro-2,2-dimethyl-4,4,8,8-tetraphenyl-1,3-dioxolo[4,5-d][1,2,7]thiadiazepine 6,6-Dioxide
SpectraBase Compound ID CilEoNChXts
InChI InChI=1S/C31H30N2O4S/c1-29(2)36-27-28(37-29)31(25-19-11-5-12-20-25,26-21-13-6-14-22-26)33-38(34,35)32-30(27,23-15-7-3-8-16-23)24-17-9-4-10-18-24/h3-22,27-28,32-33H,1-2H3/t27-,28-/m1/s1
InChIKey FVQAIGSJFPIULO-VSGBNLITSA-N
Mol Weight 526.65 g/mol
Molecular Formula C31H30N2O4S
Exact Mass 526.192629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYkrjyH36Im
Name (3aS,8aS)-Hexahydro-2,2-dimethyl-4,4,8,8-tetraphenyl-1,3-dioxolo[4,5-d][1,2,7]thiadiazepine 6,6-Dioxide
Alternate Name(s) (3aS,8aS)-2,2-dimethyl-4,4,8,8-tetraphenylhexahydro-[1,3]dioxolo[4,5-d][1,2,7]thiadiazepine 6,6-dioxide
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Formula C31H30N2O4S
InChI InChI=1S/C31H30N2O4S/c1-29(2)36-27-28(37-29)31(25-19-11-5-12-20-25,26-21-13-6-14-22-26)33-38(34,35)32-30(27,23-15-7-3-8-16-23)24-17-9-4-10-18-24/h3-22,27-28,32-33H,1-2H3/t27-,28-/m1/s1
InChIKey FVQAIGSJFPIULO-VSGBNLITSA-N
Molecular Weight 526.651 g/mol
SMILES N1S(=O)(=O)NC(c2ccccc2)([C@@]2(OC(O[C@]2(C1(c1ccccc1)c1ccccc1)[H])(C)C)[H])c1ccccc1
SPLASH splash10-001i-0920000000-92453ed3a3859d1f8b49
Source of Spectrum H-95-1319-5
Wiley ID 1786263