| SpectraBase Compound ID | 2LEHE89esZ6 |
|---|---|
| InChI | InChI=1S/C8H14O3/c1-3-7(4-5-9)6-8(10)11-2/h5,7H,3-4,6H2,1-2H3/t7-/m1/s1 |
| InChIKey | QKMOSHKBIGAJRM-SSDOTTSWSA-N |
| Mol Weight | 158.2 g/mol |
| Molecular Formula | C8H14O3 |
| Exact Mass | 158.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3CF1jhSY5ui |
|---|---|
| Name | Methyl-(3R)-(-)-3-ethyl-5-oxopentanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.094294308 u |
| Formula | C8H14O3 |
| InChI | InChI=1S/C8H14O3/c1-3-7(4-5-9)6-8(10)11-2/h5,7H,3-4,6H2,1-2H3/t7-/m1/s1 |
| InChIKey | QKMOSHKBIGAJRM-SSDOTTSWSA-N |
| Molecular Weight | 158.197 g/mol |
| SMILES | C(=O)(C[C@@](CC=O)(CC)[H])OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980056 |