| SpectraBase Spectrum ID |
I9IWTBJz34X |
| Name |
2,4,6-Cycloheptatriene-.delta.1,.alpha.-acetic acid, 2,3-dihydroxy-, .gamma.-lactone, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
204.042258734 u |
| Formula |
C11H8O4 |
| InChI |
InChI=1S/C11H8O4/c1-7(12)14-9-5-3-2-4-8-6-10(13)15-11(8)9/h2-6H,1H3 |
| InChIKey |
IEDKREJMTMFXER-UHFFFAOYSA-N |
| Molecular Weight |
204.181 g/mol |
| SMILES |
C1=CC(=C2C(C=C1)=CC(O2)=O)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875886 |
