| SpectraBase Spectrum ID |
E0CnJmqbdrZ |
| Name |
Ethyl 3-hydroxy-2,3-dimethyl-4-ethyl-5-oxocyclopent-1-ene-1-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.120509056 u |
| Formula |
C12H18O4 |
| InChI |
InChI=1S/C12H18O4/c1-5-8-10(13)9(11(14)16-6-2)7(3)12(8,4)15/h8,15H,5-6H2,1-4H3 |
| InChIKey |
VWIOQVGJJPVDRU-UHFFFAOYSA-N |
| Molecular Weight |
226.272 g/mol |
| SMILES |
C1(=C(C(C(C1=O)CC)(C)O)C)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924876 |
