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Dimethyl 2,5-di(1-naphthyl)-3,4-thiophenedicarboxylate

View entire compound with spectra: 2 NMR

Dimethyl 2,5-di(1-naphthyl)-3,4-thiophenedicarboxylate
SpectraBase Compound ID FUiMOUXsbyw
InChI InChI=1S/C28H20O4S/c1-31-27(29)23-24(28(30)32-2)26(22-16-8-12-18-10-4-6-14-20(18)22)33-25(23)21-15-7-11-17-9-3-5-13-19(17)21/h3-16H,1-2H3
InChIKey HEVXSUDIPDXMMU-UHFFFAOYSA-N
Mol Weight 452.52 g/mol
Molecular Formula C28H20O4S
Exact Mass 452.10823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KXymAXiP30A
Name Dimethyl 2,5-di(1-naphthyl)-3,4-thiophenedicarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 452.108230294 u
Formula C28H20O4S
InChI InChI=1S/C28H20O4S/c1-31-27(29)23-24(28(30)32-2)26(22-16-8-12-18-10-4-6-14-20(18)22)33-25(23)21-15-7-11-17-9-3-5-13-19(17)21/h3-16H,1-2H3
InChIKey HEVXSUDIPDXMMU-UHFFFAOYSA-N
Molecular Weight 452.524 g/mol
SMILES C=1(C(=C(C2=C3C(C=CC=C3)=CC=C2)SC1C=1C2=C(C=CC1)C=CC=C2)C(=O)OC)C(=O)OC