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R-1,C-2-bis[6-(4-Methoxy-2-pyronyl)]-T-3,T-4-diphenylcyclobutane

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R-1,C-2-bis[6-(4-Methoxy-2-pyronyl)]-T-3,T-4-diphenylcyclobutane
SpectraBase Compound ID 3YHxItGYU1e
InChI InChI=1S/C28H24O6/c1-31-19-13-21(33-23(29)15-19)27-25(17-9-5-3-6-10-17)26(18-11-7-4-8-12-18)28(27)22-14-20(32-2)16-24(30)34-22/h3-16,25-28H,1-2H3
InChIKey HXQHFAZJCRQKPB-UHFFFAOYSA-N
Mol Weight 456.49 g/mol
Molecular Formula C28H24O6
Exact Mass 456.157288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 97zBDEOEAsG
Name R-1,C-2-bis[6-(4-Methoxy-2-pyronyl)]-T-3,T-4-diphenylcyclobutane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.157288487 u
Formula C28H24O6
InChI InChI=1S/C28H24O6/c1-31-19-13-21(33-23(29)15-19)27-25(17-9-5-3-6-10-17)26(18-11-7-4-8-12-18)28(27)22-14-20(32-2)16-24(30)34-22/h3-16,25-28H,1-2H3
InChIKey HXQHFAZJCRQKPB-UHFFFAOYSA-N
Molecular Weight 456.494 g/mol
SMILES C1(C(C(C1C1=CC(=CC(O1)=O)OC)C=1OC(C=C(C1)OC)=O)C1=CC=CC=C1)C1=CC=CC=C1