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(R,R)-(+)-bis[2-phenyl-2-(ethylsulfanyl)ethyl]sulfide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(R,R)-(+)-bis[2-phenyl-2-(ethylsulfanyl)ethyl]sulfide
SpectraBase Compound ID 5KuLWdSSk1e
InChI InChI=1S/C20H26S3/c1-3-22-19(17-11-7-5-8-12-17)15-21-16-20(23-4-2)18-13-9-6-10-14-18/h5-14,19-20H,3-4,15-16H2,1-2H3/t19-,20-/m0/s1
InChIKey IFUWRSHZAUCUNC-PMACEKPBSA-N
Mol Weight 362.61 g/mol
Molecular Formula C20H26S3
Exact Mass 362.119664 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8e3rLGB32lI
Name (R,R)-(+)-bis[2-phenyl-2-(ethylsulfanyl)ethyl]sulfide
Comments Computed using HOSE algorithm
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Exact Mass 362.119664359 u
Formula C20H26S3
InChI InChI=1S/C20H26S3/c1-3-22-19(17-11-7-5-8-12-17)15-21-16-20(23-4-2)18-13-9-6-10-14-18/h5-14,19-20H,3-4,15-16H2,1-2H3/t19-,20-/m0/s1
InChIKey IFUWRSHZAUCUNC-PMACEKPBSA-N
Molecular Weight 362.608 g/mol
SMILES C(SC[C@@](C=1C=CC=CC1)(SCC)[H])[C@@](C=1C=CC=CC1)(SCC)[H]