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2,2'-[1,4-Bismethyldiylbis(2-phenoxy)]bis(benzothiazole)

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

2,2'-[1,4-Bismethyldiylbis(2-phenoxy)]bis(benzothiazole)
SpectraBase Compound ID CCt95zBHzm1
InChI InChI=1S/C34H24N2O2S2/c1-5-13-29(25(9-1)33-35-27-11-3-7-15-31(27)39-33)37-21-23-17-19-24(20-18-23)22-38-30-14-6-2-10-26(30)34-36-28-12-4-8-16-32(28)40-34/h1-20H,21-22H2
InChIKey SGPSOGUFQYQGEZ-UHFFFAOYSA-N
Mol Weight 556.7 g/mol
Molecular Formula C34H24N2O2S2
Exact Mass 556.12792 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8fheWAzVQ1S
Name 2,2'-[1,4-Bismethyldiylbis(2-phenoxy)]bis(benzothiazole)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 556.127920367 u
Formula C34H24N2O2S2
InChI InChI=1S/C34H24N2O2S2/c1-5-13-29(25(9-1)33-35-27-11-3-7-15-31(27)39-33)37-21-23-17-19-24(20-18-23)22-38-30-14-6-2-10-26(30)34-36-28-12-4-8-16-32(28)40-34/h1-20H,21-22H2
InChIKey SGPSOGUFQYQGEZ-UHFFFAOYSA-N
Molecular Weight 556.698 g/mol
SMILES C1(=NC=2C=CC=CC2S1)C1=C(OCC2=CC=C(COC3=C(C4=NC=5C=CC=CC5S4)C=CC=C3)C=C2)C=CC=C1