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3,11-Diacetoxydibenz[a,j]anthracene
SpectraBase Compound ID E8ezkWUzuGZ
InChI InChI=1S/C26H18O4/c1-15(27)29-21-7-9-23-19(12-21)5-3-17-11-18-4-6-20-13-22(30-16(2)28)8-10-24(20)26(18)14-25(17)23/h3-14H,1-2H3
InChIKey UGWKLTJRURDCNW-UHFFFAOYSA-N
Mol Weight 394.43 g/mol
Molecular Formula C26H18O4
Exact Mass 394.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7j6awHYNANl
Name 3,11-Diacetoxydibenz[A,J]anthracene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.120509056 u
Formula C26H18O4
InChI InChI=1S/C26H18O4/c1-15(27)29-21-7-9-23-19(12-21)5-3-17-11-18-4-6-20-13-22(30-16(2)28)8-10-24(20)26(18)14-25(17)23/h3-14H,1-2H3
InChIKey UGWKLTJRURDCNW-UHFFFAOYSA-N
Molecular Weight 394.426 g/mol
SMILES C1=2C=C3C=4C(=CC(=CC4)OC(=O)C)C=CC3=CC1=CC=C1C2C=CC(OC(=O)C)=C1