SpectraBase Spectrum ID |
4HncUXnXUVP |
Name |
7H-Cycloocta[de]naphthalen-7-one, 9-benzoyl-8-hydroxy- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
326.094294308 u |
Formula |
C22H14O3 |
InChI |
InChI=1S/C22H14O3/c23-20(15-8-4-2-5-9-15)19-13-17-16-10-6-1-3-7-14(11-16)12-18(17)21(24)22(19)25/h1-13,25H/b3-1-,6-1-,7-3-,10-6-,14-7+,16-10+ |
InChIKey |
GUXLZYLBHOPKGD-AUWPOLIESA-N |
Molecular Weight |
326.351 g/mol |
SMILES |
C1(=C(C(=O)C=2C(=C1)C1=C\C(=C/C=C\C=C/1)C2)O)C(=O)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828137 |