SpectraBase Spectrum ID |
5q9ykI84FUs |
Name |
12H-Benzo[A]xanthen-12-one, 5,6-dihydro-9,11-dihydroxy- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
280.073558862 u |
Formula |
C17H12O4 |
InChI |
InChI=1S/C17H12O4/c18-10-7-12(19)16-14(8-10)21-13-6-5-9-3-1-2-4-11(9)15(13)17(16)20/h1-4,7-8,18-19H,5-6H2 |
InChIKey |
XLUBPKHTICERDP-UHFFFAOYSA-N |
SMILES |
C1=2C(C=3C(=CC(=CC3OC2CCC=2C1=CC=CC2)O)O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916878 |