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cis-1,3-dibenzyltetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one, 5,5-dioxide
SpectraBase Compound ID Anq83yxMDZc
InChI InChI=1S/C19H20N2O3S/c22-19-20(11-15-7-3-1-4-8-15)17-13-25(23,24)14-18(17)21(19)12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17-,18+
InChIKey VICDXHSIMZZPLY-HDICACEKSA-N
Mol Weight 356.44 g/mol
Molecular Formula C19H20N2O3S
Exact Mass 356.119464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4CqUfDNf44q
Name cis-1,3-Dibenzyltetrahydro-1H-thieno[3,4-D]imidazol-2(3H)-one, 5,5-dioxide
Comments Computed using HOSE algorithm
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Exact Mass 356.119463683 u
Formula C19H20N2O3S
InChI InChI=1S/C19H20N2O3S/c22-19-20(11-15-7-3-1-4-8-15)17-13-25(23,24)14-18(17)21(19)12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17-,18+
InChIKey VICDXHSIMZZPLY-HDICACEKSA-N
Molecular Weight 356.440 g/mol
SMILES C1S(C[C@]2(N(C(N([C@@]12[H])CC=1C=CC=CC1)=O)CC=1C=CC=CC1)[H])(=O)=O