| SpectraBase Compound ID | JLLL7rCruoo |
|---|---|
| InChI | InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3,6-7H,1,4-5H2,2H3/t6-/m0/s1 |
| InChIKey | LNPNXWKVAFKIBX-LURJTMIESA-N |
| Mol Weight | 100.16 g/mol |
| Molecular Formula | C6H12O |
| Exact Mass | 100.088815 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3h62OYhDsNS |
|---|---|
| Name | (S)-(+)-5-hexen-2-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 100.088815005 u |
| Formula | C6H12O |
| InChI | InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3,6-7H,1,4-5H2,2H3/t6-/m0/s1 |
| InChIKey | LNPNXWKVAFKIBX-LURJTMIESA-N |
| Molecular Weight | 100.161 g/mol |
| SMILES | C(=C)CC[C@@](O)(C)[H] |
| Spectrum/Structure Validation Score (Raman) | 0.959536 |