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2,7-Dioxa-1(1,2),3,6(1,3),8(1,4)-tetrabenzenacyclodecaphane-1(5),6(4)-diol

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2,7-Dioxa-1(1,2),3,6(1,3),8(1,4)-tetrabenzenacyclodecaphane-1(5),6(4)-diol
SpectraBase Compound ID ICK1GTdD6uS
InChI InChI=1S/C28H24O4/c29-23-12-11-22-10-6-19-7-13-24(14-8-19)31-28-17-21(9-15-26(28)30)5-4-20-2-1-3-25(16-20)32-27(22)18-23/h1-3,7-9,11-18,29-30H,4-6,10H2
InChIKey RHTVBYAYWHIJLP-UHFFFAOYSA-N
Mol Weight 424.5 g/mol
Molecular Formula C28H24O4
Exact Mass 424.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4qYxj8kn2d9
Name 2,7-Dioxa-1(1,2),3,6(1,3),8(1,4)-tetrabenzenacyclodecaphane-1(5),6(4)-diol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.167459249 u
Formula C28H24O4
InChI InChI=1S/C28H24O4/c29-23-12-11-22-10-6-19-7-13-24(14-8-19)31-28-17-21(9-15-26(28)30)5-4-20-2-1-3-25(16-20)32-27(22)18-23/h1-3,7-9,11-18,29-30H,4-6,10H2
InChIKey RHTVBYAYWHIJLP-UHFFFAOYSA-N
Molecular Weight 424.496 g/mol
SMILES C1=C2C(=CC(=C1)O)OC=1C=C(C=CC1)CCC1=CC(=C(C=C1)O)OC1=CC=C(CC2)C=C1