| SpectraBase Compound ID | 3FtuADEIVwc |
|---|---|
| InChI | InChI=1S/C7H10O4/c1-5(8)3-6(9)4-7(10)11-2/h3-4H2,1-2H3 |
| InChIKey | JUKCTOHWTHYRPF-UHFFFAOYSA-N |
| Mol Weight | 158.15 g/mol |
| Molecular Formula | C7H10O4 |
| Exact Mass | 158.057909 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7a59UOY8sje |
|---|---|
| Name | Hexanoic acid, 3,5-dioxo-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.057908798 u |
| Formula | C7H10O4 |
| InChI | InChI=1S/C7H10O4/c1-5(8)3-6(9)4-7(10)11-2/h3-4H2,1-2H3 |
| InChIKey | JUKCTOHWTHYRPF-UHFFFAOYSA-N |
| SMILES | C(C(CC(C)=O)=O)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.806983 |