| SpectraBase Compound ID | 7VG8vT38jg8 |
|---|---|
| InChI | InChI=1S/C9H16O4/c1-4-8(10)12-6-7(3)13-9(11)5-2/h7H,4-6H2,1-3H3 |
| InChIKey | KFNABOVSAPCOCY-UHFFFAOYSA-N |
| Mol Weight | 188.22 g/mol |
| Molecular Formula | C9H16O4 |
| Exact Mass | 188.104859 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DIzPyBt6HpA |
|---|---|
| Name | 1,2-Propanediol, dipropanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.104858991 u |
| Formula | C9H16O4 |
| InChI | InChI=1S/C9H16O4/c1-4-8(10)12-6-7(3)13-9(11)5-2/h7H,4-6H2,1-3H3 |
| InChIKey | KFNABOVSAPCOCY-UHFFFAOYSA-N |
| Molecular Weight | 188.223 g/mol |
| SMILES | C(=O)(OC(COC(=O)CC)C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962946 |