| SpectraBase Compound ID | 2cfxIMeZbrI |
|---|---|
| InChI | InChI=1S/C5H12O/c1-4-5(2)6-3/h5H,4H2,1-3H3 |
| InChIKey | FVNIMHIOIXPIQT-UHFFFAOYSA-N |
| Mol Weight | 88.15 g/mol |
| Molecular Formula | C5H12O |
| Exact Mass | 88.088815 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | hrZN21NvIY |
|---|---|
| Name | sec-Butyl methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 88.088815005 u |
| Formula | C5H12O |
| InChI | InChI=1S/C5H12O/c1-4-5(2)6-3/h5H,4H2,1-3H3 |
| InChIKey | FVNIMHIOIXPIQT-UHFFFAOYSA-N |
| Molecular Weight | 88.150 g/mol |
| SMILES | CCC(OC)C |
| Spectrum/Structure Validation Score (Raman) | 0.976799 |