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2,2'-(p-Phenylene)bis[4-(p-nitrophenyl)thiazole]
SpectraBase Compound ID 1kfhp1LUB9F
InChI InChI=1S/C24H14N4O4S2/c29-27(30)19-9-5-15(6-10-19)21-13-33-23(25-21)17-1-2-18(4-3-17)24-26-22(14-34-24)16-7-11-20(12-8-16)28(31)32/h1-14H
InChIKey PSTJHXBHSBBHOC-UHFFFAOYSA-N
Mol Weight 486.52 g/mol
Molecular Formula C24H14N4O4S2
Exact Mass 486.045647 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 97tAYQxfp4V
Name 2,2'-(p-Phenylene)bis[4-(p-nitrophenyl)thiazole]
Comments Computed using HOSE algorithm
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Exact Mass 486.045647291 u
Formula C24H14N4O4S2
InChI InChI=1S/C24H14N4O4S2/c29-27(30)19-9-5-15(6-10-19)21-13-33-23(25-21)17-1-2-18(4-3-17)24-26-22(14-34-24)16-7-11-20(12-8-16)28(31)32/h1-14H
InChIKey PSTJHXBHSBBHOC-UHFFFAOYSA-N
Molecular Weight 486.520 g/mol
SMILES C=1C(=CC=C(C1)C1=CSC(=N1)C=1C=CC(=CC1)C1=NC(=CS1)C1=CC=C(C=C1)N(=O)=O)N(=O)=O