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2,2'-[1,5-Pentane-3-oxadiylbis(2-phenoxy)]bis(benzothiazole)
SpectraBase Compound ID Hg9z4hW7sPs
InChI InChI=1S/C30H24N2O3S2/c1-5-13-25(21(9-1)29-31-23-11-3-7-15-27(23)36-29)34-19-17-33-18-20-35-26-14-6-2-10-22(26)30-32-24-12-4-8-16-28(24)37-30/h1-16H,17-20H2
InChIKey BEYJSCPEJSSGJL-UHFFFAOYSA-N
Mol Weight 524.65 g/mol
Molecular Formula C30H24N2O3S2
Exact Mass 524.122835 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5dCq7d0DQgc
Name 2,2'-[1,5-Pentane-3-oxadiylbis(2-phenoxy)]bis(benzothiazole)
Comments Computed using HOSE algorithm
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Exact Mass 524.122834986 u
Formula C30H24N2O3S2
InChI InChI=1S/C30H24N2O3S2/c1-5-13-25(21(9-1)29-31-23-11-3-7-15-27(23)36-29)34-19-17-33-18-20-35-26-14-6-2-10-22(26)30-32-24-12-4-8-16-28(24)37-30/h1-16H,17-20H2
InChIKey BEYJSCPEJSSGJL-UHFFFAOYSA-N
Molecular Weight 524.653 g/mol
SMILES C1(=NC=2C=CC=CC2S1)C1=C(OCCOCCOC2=C(C3=NC=4C=CC=CC4S3)C=CC=C2)C=CC=C1