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Tetramethyl pseudogem[3.3]paracyclophane-5,8,14,17-tetracarboxylate
SpectraBase Compound ID 5FtNeAy7Zj4
InChI InChI=1S/C26H28O8/c1-31-23(27)19-11-16-8-6-10-18-14-21(25(29)33-3)17(13-22(18)26(30)34-4)9-5-7-15(19)12-20(16)24(28)32-2/h11-14H,5-10H2,1-4H3
InChIKey QJTGZPPTFLQZDO-UHFFFAOYSA-N
Mol Weight 468.5 g/mol
Molecular Formula C26H28O8
Exact Mass 468.178418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AmT6Km2T3bi
Name Tetramethyl pseudogem[3.3]paracyclophane-5,8,14,17-tetracarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 468.178417854 u
Formula C26H28O8
InChI InChI=1S/C26H28O8/c1-31-23(27)19-11-16-8-6-10-18-14-21(25(29)33-3)17(13-22(18)26(30)34-4)9-5-7-15(19)12-20(16)24(28)32-2/h11-14H,5-10H2,1-4H3
InChIKey QJTGZPPTFLQZDO-UHFFFAOYSA-N
Molecular Weight 468.502 g/mol
SMILES C1(=CC=2CCCC3=C(C=C(C(=C3)C(=O)OC)CCCC1=CC2C(=O)OC)C(=O)OC)C(=O)OC