| SpectraBase Compound ID | GReSfVZz9e6 |
|---|---|
| InChI | InChI=1S/C8H14O4/c1-3-8(10)12-6-4-5-11-7(2)9/h3-6H2,1-2H3 |
| InChIKey | JMUCLJAYXMCKDK-UHFFFAOYSA-N |
| Mol Weight | 174.2 g/mol |
| Molecular Formula | C8H14O4 |
| Exact Mass | 174.089209 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3E7qhSiuAtj |
|---|---|
| Name | 3-Acetoxypropyl propanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.089208927 u |
| Formula | C8H14O4 |
| InChI | InChI=1S/C8H14O4/c1-3-8(10)12-6-4-5-11-7(2)9/h3-6H2,1-2H3 |
| InChIKey | JMUCLJAYXMCKDK-UHFFFAOYSA-N |
| Molecular Weight | 174.196 g/mol |
| SMILES | C(CC)(=O)OCCCOC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968207 |