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1,4-[[2-Benzylsulfinyl ethyl]dithio]butane

View entire compound with spectra: 1 NMR

1,4-[[2-Benzylsulfinyl ethyl]dithio]butane
SpectraBase Compound ID 4fxScxyvvcB
InChI InChI=1S/C22H30O2S6/c23-29(19-21-9-3-1-4-10-21)17-15-27-25-13-7-8-14-26-28-16-18-30(24)20-22-11-5-2-6-12-22/h1-6,9-12H,7-8,13-20H2
InChIKey UJLWKWQFFJOPIM-UHFFFAOYSA-N
Mol Weight 518.8 g/mol
Molecular Formula C22H30O2S6
Exact Mass 518.057007 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IU3obgim8TN
Name 1,4-[[2-Benzylsulfinyl ethyl]dithio]butane
Comments Computed using HOSE algorithm
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Exact Mass 518.057007248 u
Formula C22H30O2S6
InChI InChI=1S/C22H30O2S6/c23-29(19-21-9-3-1-4-10-21)17-15-27-25-13-7-8-14-26-28-16-18-30(24)20-22-11-5-2-6-12-22/h1-6,9-12H,7-8,13-20H2
InChIKey UJLWKWQFFJOPIM-UHFFFAOYSA-N
Molecular Weight 518.840 g/mol
SMILES C1(=CC=CC=C1)CS(=O)CCSSCCCCSSCCS(=O)CC1=CC=CC=C1