| SpectraBase Compound ID | Ctd5PDlil6s |
|---|---|
| InChI | InChI=1S/C11H20O3/c1-4-6-7-10(12)9(3)8-11(13)14-5-2/h9H,4-8H2,1-3H3/t9-/m1/s1 |
| InChIKey | JKOKEWAMUXHEHR-SECBINFHSA-N |
| Mol Weight | 200.28 g/mol |
| Molecular Formula | C11H20O3 |
| Exact Mass | 200.141245 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5nlJiSZ4K7y |
|---|---|
| Name | (R)-Ethyl 3-methyl-4-oxooctanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.141244501 u |
| Formula | C11H20O3 |
| InChI | InChI=1S/C11H20O3/c1-4-6-7-10(12)9(3)8-11(13)14-5-2/h9H,4-8H2,1-3H3/t9-/m1/s1 |
| InChIKey | JKOKEWAMUXHEHR-SECBINFHSA-N |
| Molecular Weight | 200.278 g/mol |
| SMILES | C(=O)(C[C@@](C)(C(=O)CCCC)[H])OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934791 |