| SpectraBase Compound ID | 2Hj85xEY1S3 |
|---|---|
| InChI | 1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3/t5-/m0/s1 |
| InChIKey | MXLMTQWGSQIYOW-YFKPBYRVSA-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 | 1Vo9Tg5NtaJ |
|---|---|
| Name | (S)-(+)-3-methyl-2-butanol |
| 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(2)5(3)6/h4-6H,1-3H3/t5-/m0/s1 |
| InChIKey | MXLMTQWGSQIYOW-YFKPBYRVSA-N |
| Molecular Weight | 88.150 g/mol |
| SMILES | [C@@](C(C)C)(O)(C)[H] |
| Spectrum/Structure Validation Score (Raman) | 0.975382 |