| SpectraBase Compound ID | KdLGhPl5Yxm |
|---|---|
| InChI | InChI=1S/C9H12O4/c1-4-7-8(11)9(5(2)12-7)13-6(3)10/h7H,4H2,1-3H3 |
| InChIKey | GTIGIDDMNIPUBG-UHFFFAOYSA-N |
| Mol Weight | 184.19 g/mol |
| Molecular Formula | C9H12O4 |
| Exact Mass | 184.073559 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3U8fSkZMGTw |
|---|---|
| Name | 5-Ethyl-4-hydroxy-2-methyl-3(2H)-furanone, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.073558862 u |
| Formula | C9H12O4 |
| InChI | InChI=1S/C9H12O4/c1-4-7-8(11)9(5(2)12-7)13-6(3)10/h7H,4H2,1-3H3 |
| InChIKey | GTIGIDDMNIPUBG-UHFFFAOYSA-N |
| Molecular Weight | 184.191 g/mol |
| SMILES | CCC1OC(=C(C1=O)OC(C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.805366 |