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7,8:13,14-Dibenzo-2,9,11-trisdehydro[16]annulene-1,4-dione

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

7,8:13,14-Dibenzo-2,9,11-trisdehydro[16]annulene-1,4-dione
SpectraBase Compound ID 567Zp5AC4Ph
InChI InChI=1S/C24H12O2/c25-23-15-13-21-11-5-3-9-19(21)7-1-2-8-20-10-4-6-12-22(20)14-16-24(26)18-17-23/h3-6,9-16H/b15-13+,16-14+
InChIKey CZZVGLWZYKJIMP-WXUKJITCSA-N
Mol Weight 332.36 g/mol
Molecular Formula C24H12O2
Exact Mass 332.08373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1mzcnh2KhDI
Name 7,8:13,14-Dibenzo-2,9,11-trisdehydro[16]annulene-1,4-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.083729624 u
Formula C24H12O2
InChI InChI=1S/C24H12O2/c25-23-15-13-21-11-5-3-9-19(21)7-1-2-8-20-10-4-6-12-22(20)14-16-24(26)18-17-23/h3-6,9-16H/b15-13+,16-14+
InChIKey CZZVGLWZYKJIMP-WXUKJITCSA-N
Molecular Weight 332.358 g/mol
SMILES C1#CC(\C=C\C=2C(C#CC#CC=3C(\C=C\C1=O)=CC=CC3)=CC=CC2)=O