| SpectraBase Spectrum ID |
IM9c2A9vNm2 |
| Name |
(2-Hydroxy-3-oxo-1,4,6-cycloheptatrienyl)-p-benzoquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
228.042258734 u |
| Formula |
C13H8O4 |
| InChI |
InChI=1S/C13H8O4/c14-8-5-6-11(15)10(7-8)9-3-1-2-4-12(16)13(9)17/h1-7H,(H,16,17) |
| InChIKey |
SRSAOUQRCUVWFP-UHFFFAOYSA-N |
| Molecular Weight |
228.203 g/mol |
| SMILES |
C=1C(=C(C(C=CC1)=O)O)C=1C(C=CC(C1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9246 |
