| SpectraBase Compound ID | ClP4yK7Quv0 |
|---|---|
| InChI | InChI=1S/C8H16O2/c1-4-7(3)6-8(9)10-5-2/h7H,4-6H2,1-3H3 |
| InChIKey | TXAWGHYFBQBVNK-UHFFFAOYSA-N |
| Mol Weight | 144.21 g/mol |
| Molecular Formula | C8H16O2 |
| Exact Mass | 144.11503 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | AaC4a3baKSt |
|---|---|
| Name | Ethyl 3-methylvalerate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.115029753 u |
| Formula | C8H16O2 |
| InChI | InChI=1S/C8H16O2/c1-4-7(3)6-8(9)10-5-2/h7H,4-6H2,1-3H3 |
| InChIKey | TXAWGHYFBQBVNK-UHFFFAOYSA-N |
| Molecular Weight | 144.214 g/mol |
| SMILES | C(C(CC)C)C(OCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.935569 |