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1,3-Di(2'-anthraquinoyl)propane

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

1,3-Di(2'-anthraquinoyl)propane
SpectraBase Compound ID 1Nes14Ne9cB
InChI InChI=1S/C31H20O4/c32-28-20-8-1-3-10-22(20)30(34)26-16-18(12-14-24(26)28)6-5-7-19-13-15-25-27(17-19)31(35)23-11-4-2-9-21(23)29(25)33/h1-4,8-17H,5-7H2
InChIKey YGCSTXJRYKHRLP-UHFFFAOYSA-N
Mol Weight 456.5 g/mol
Molecular Formula C31H20O4
Exact Mass 456.136159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8dTP0x8Oy0D
Name 1,3-di(2'-Anthraquinoyl)propane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.136159120 u
Formula C31H20O4
InChI InChI=1S/C31H20O4/c32-28-20-8-1-3-10-22(20)30(34)26-16-18(12-14-24(26)28)6-5-7-19-13-15-25-27(17-19)31(35)23-11-4-2-9-21(23)29(25)33/h1-4,8-17H,5-7H2
InChIKey YGCSTXJRYKHRLP-UHFFFAOYSA-N
Molecular Weight 456.497 g/mol
SMILES C1=2C(C=3C=CC=CC3C(C2C=CC(=C1)CCCC1=CC=2C(C=3C=CC=CC3C(C2C=C1)=O)=O)=O)=O