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2-({4-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]benzyl}sulfanyl)-1,3-benzothiazole

View entire compound with spectra: 2 NMR

2-({4-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]benzyl}sulfanyl)-1,3-benzothiazole
SpectraBase Compound ID KdJDBZL5Xug
InChI InChI=1S/C22H16N2S4/c1-3-7-19-17(5-1)23-21(27-19)25-13-15-9-11-16(12-10-15)14-26-22-24-18-6-2-4-8-20(18)28-22/h1-12H,13-14H2
InChIKey NXJDRCDNTIWJHI-UHFFFAOYSA-N
Mol Weight 436.6 g/mol
Molecular Formula C22H16N2S4
Exact Mass 436.019633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5KSgw4jckrs
Name 2-({4-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]benzyl}sulfanyl)-1,3-benzothiazole
Comments Computed using HOSE algorithm
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Exact Mass 436.019633219 u
Formula C22H16N2S4
InChI InChI=1S/C22H16N2S4/c1-3-7-19-17(5-1)23-21(27-19)25-13-15-9-11-16(12-10-15)14-26-22-24-18-6-2-4-8-20(18)28-22/h1-12H,13-14H2
InChIKey NXJDRCDNTIWJHI-UHFFFAOYSA-N
Molecular Weight 436.624 g/mol
SMILES C1(=NC2=CC=CC=C2S1)SCC=1C=CC(CSC2=NC3=CC=CC=C3S2)=CC1