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Benzene, 1,1'-[1,1-bis(phenylthio)-1,2-ethanediyl]bis-
SpectraBase Compound ID BxbwnTzkCjD
InChI InChI=1S/C26H22S2/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,27-24-17-9-3-10-18-24)28-25-19-11-4-12-20-25/h1-20H,21H2
InChIKey QPWRXWCOKVQPGJ-UHFFFAOYSA-N
Mol Weight 398.58 g/mol
Molecular Formula C26H22S2
Exact Mass 398.116293 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LhrXNocyRUC
Name Benzene, 1,1'-[1,1-bis(phenylthio)-1,2-ethanediyl]bis-
Comments Computed using HOSE algorithm
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Exact Mass 398.116293056 u
Formula C26H22S2
InChI InChI=1S/C26H22S2/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,27-24-17-9-3-10-18-24)28-25-19-11-4-12-20-25/h1-20H,21H2
InChIKey QPWRXWCOKVQPGJ-UHFFFAOYSA-N
Molecular Weight 398.582 g/mol
SMILES C(SC=1C=CC=CC1)(SC=1C=CC=CC1)(CC1=CC=CC=C1)C=1C=CC=CC1