| SpectraBase Compound ID | G0fJL8u4LAT |
|---|---|
| InChI | InChI=1S/C9H16O3/c1-4-6-12-9(11)8(10)7(3)5-2/h7H,4-6H2,1-3H3 |
| InChIKey | CHTHRZQXWRLUHN-UHFFFAOYSA-N |
| Mol Weight | 172.22 g/mol |
| Molecular Formula | C9H16O3 |
| Exact Mass | 172.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1rNpcvaBbBS |
|---|---|
| Name | Propyl 3-methyl-2-oxopentanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.109944372 u |
| Formula | C9H16O3 |
| InChI | InChI=1S/C9H16O3/c1-4-6-12-9(11)8(10)7(3)5-2/h7H,4-6H2,1-3H3 |
| InChIKey | CHTHRZQXWRLUHN-UHFFFAOYSA-N |
| Molecular Weight | 172.224 g/mol |
| SMILES | CCC(C(C(=O)OCCC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934808 |