SpectraBase Spectrum ID |
AwH7Oj2ScaT |
Name |
6-Benzoyl-4-[6-benzoyl-2-hydroxy-1-naphthyl]-1,2-naphthoquinone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
508.131073739 u |
Formula |
C34H20O5 |
InChI |
InChI=1S/C34H20O5/c35-29-16-13-22-17-23(32(37)20-7-3-1-4-8-20)11-14-25(22)31(29)28-19-30(36)34(39)26-15-12-24(18-27(26)28)33(38)21-9-5-2-6-10-21/h1-19,35H |
InChIKey |
RVEXAPICOZXIEO-UHFFFAOYSA-N |
Molecular Weight |
508.529 g/mol |
SMILES |
C=1(C2=C(C=CC(=C2)C(=O)C=2C=CC=CC2)C(C(C1)=O)=O)C1=C2C(C=C(C=C2)C(=O)C=2C=CC=CC2)=CC=C1O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930783 |