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1,13-(1',2')-Dibenzenacyclotetracosaphan-2-ene-4,9-dione

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1,13-(1',2')-Dibenzenacyclotetracosaphan-2-ene-4,9-dione
SpectraBase Compound ID DL0XTaHRYLD
InChI InChI=1S/C34H40O4/c35-31-17-5-8-20-34(38)26-24-30-14-4-2-12-28(30)16-10-22-32(36)18-6-7-19-33(37)25-23-29-13-3-1-11-27(29)15-9-21-31/h1-4,11-14,23-26H,5-10,15-22H2/b25-23+,26-24+
InChIKey XKSQZQKMUIGYSE-OGGGYYITSA-N
Mol Weight 512.7 g/mol
Molecular Formula C34H40O4
Exact Mass 512.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9kNG4l46QQt
Name 1,13-(1',2')-Dibenzenacyclotetracosaphan-2-ene-4,9-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 512.292659764 u
Formula C34H40O4
InChI InChI=1S/C34H40O4/c35-31-17-5-8-20-34(38)26-24-30-14-4-2-12-28(30)16-10-22-32(36)18-6-7-19-33(37)25-23-29-13-3-1-11-27(29)15-9-21-31/h1-4,11-14,23-26H,5-10,15-22H2/b25-23+,26-24+
InChIKey XKSQZQKMUIGYSE-OGGGYYITSA-N
Molecular Weight 512.690 g/mol
SMILES C1(\C=C\C=2C(CCCC(CCCCC(\C=C\C=3C(CCCC(CCCC1)=O)=CC=CC3)=O)=O)=CC=CC2)=O