| SpectraBase Compound ID | JGZRnHN09cs |
|---|---|
| InChI | InChI=1S/C8H16O2/c1-4-5-6-7(2)10-8(3)9/h7H,4-6H2,1-3H3 |
| InChIKey | RXTNIJMLAQNTEG-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 | 6nc0OCzjkig |
|---|---|
| Name | Essigsaeure-1-methyl-pentylester |
| 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/c1-4-5-6-7(2)10-8(3)9/h7H,4-6H2,1-3H3 |
| InChIKey | RXTNIJMLAQNTEG-UHFFFAOYSA-N |
| Molecular Weight | 144.214 g/mol |
| SMILES | C(=O)(C)OC(CCCC)C |
| Spectrum/Structure Validation Score (Raman) | 0.968124 |