SpectraBase Spectrum ID |
77EtNAIEkNL |
Name |
Dibenzo[B,H]biphenylene-5,12-dione, 5A,11B-dihydro-6,11-dihydroxy- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
316.073558862 u |
Formula |
C20H12O4 |
InChI |
InChI=1S/C20H12O4/c21-17-9-5-1-2-6-10(9)18(22)14-13(17)15-16(14)20(24)12-8-4-3-7-11(12)19(15)23/h1-8,13-14,23-24H |
InChIKey |
MVGCIFXFMUMGSO-UHFFFAOYSA-N |
Molecular Weight |
316.312 g/mol |
SMILES |
C1(=O)C2C3=C(C2C(C2=C1C=CC=C2)=O)C(O)=C1C(=C3O)C=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829953 |