| SpectraBase Compound ID | 3rsw014EnYc |
|---|---|
| InChI | InChI=1S/C9H16O3/c1-4-8(10)7(3)6-9(11)12-5-2/h7H,4-6H2,1-3H3/t7-/m1/s1 |
| InChIKey | GQDYMXDBPZVTFB-SSDOTTSWSA-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 | 1JiJ9U2R9H9 |
|---|---|
| Name | (R)-Ethyl 3-methyl-4-oxohexanoate |
| 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/c1-4-8(10)7(3)6-9(11)12-5-2/h7H,4-6H2,1-3H3/t7-/m1/s1 |
| InChIKey | GQDYMXDBPZVTFB-SSDOTTSWSA-N |
| Molecular Weight | 172.224 g/mol |
| SMILES | C(=O)(C[C@@](C)(C(=O)CC)[H])OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.995041 |