| SpectraBase Spectrum ID |
8ARxtIX5Fxk |
| Name |
Methanone, bis(3,4-dihydroxyphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.052823417 u |
| Formula |
C13H10O5 |
| InChI |
InChI=1S/C13H10O5/c14-9-3-1-7(5-11(9)16)13(18)8-2-4-10(15)12(17)6-8/h1-6,14-17H |
| InChIKey |
XZXMWAHILBWKBI-UHFFFAOYSA-N |
| Molecular Weight |
246.218 g/mol |
| SMILES |
C1(O)=CC=C(C=C1O)C(=O)C1=CC=C(O)C(O)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.984073 |
