| SpectraBase Compound ID | hkUGEJPcSX |
|---|---|
| InChI | InChI=1S/C10H18O3/c1-6-13-9(12)10(4,5)8(11)7(2)3/h7H,6H2,1-5H3 |
| InChIKey | IINVHMMMAUHNDG-UHFFFAOYSA-N |
| Mol Weight | 186.25 g/mol |
| Molecular Formula | C10H18O3 |
| Exact Mass | 186.125594 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5B6B8vJ0KHY |
|---|---|
| Name | 3-oxo-2,2,4-Trimethylvaleric acid, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.125594437 u |
| Formula | C10H18O3 |
| InChI | InChI=1S/C10H18O3/c1-6-13-9(12)10(4,5)8(11)7(2)3/h7H,6H2,1-5H3 |
| InChIKey | IINVHMMMAUHNDG-UHFFFAOYSA-N |
| Molecular Weight | 186.251 g/mol |
| SMILES | CC(C(C(C(OCC)=O)(C)C)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.992274 |