| SpectraBase Compound ID | F6Qtv51Wkb6 |
|---|---|
| InChI | InChI=1S/C8H14O4/c1-6(3-4-8(10)11)5-12-7(2)9/h6H,3-5H2,1-2H3,(H,10,11) |
| InChIKey | OCLVCORVKBNFRN-UHFFFAOYSA-N |
| Mol Weight | 174.2 g/mol |
| Molecular Formula | C8H14O4 |
| Exact Mass | 174.089209 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6wHr0qHtCP7 |
|---|---|
| Name | 5-Hydroxy-4-methylvaleric acid, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.089208927 u |
| Formula | C8H14O4 |
| InChI | InChI=1S/C8H14O4/c1-6(3-4-8(10)11)5-12-7(2)9/h6H,3-5H2,1-2H3,(H,10,11) |
| InChIKey | OCLVCORVKBNFRN-UHFFFAOYSA-N |
| Molecular Weight | 174.196 g/mol |
| SMILES | OC(CCC(COC(C)=O)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.770239 |