| SpectraBase Compound ID | 8knLCyaM7Oh |
|---|---|
| InChI | InChI=1S/C8H18O2/c1-3-5-7(9)8(10)6-4-2/h7-10H,3-6H2,1-2H3 |
| InChIKey | YOEZZCLQJVMZGY-UHFFFAOYSA-N |
| Mol Weight | 146.23 g/mol |
| Molecular Formula | C8H18O2 |
| Exact Mass | 146.13068 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EGYAdnYgA18 |
|---|---|
| Name | 4,5-Octanediol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.130679818 u |
| Formula | C8H18O2 |
| InChI | InChI=1S/C8H18O2/c1-3-5-7(9)8(10)6-4-2/h7-10H,3-6H2,1-2H3 |
| InChIKey | YOEZZCLQJVMZGY-UHFFFAOYSA-N |
| Molecular Weight | 146.230 g/mol |
| SMILES | OC(C(CCC)O)CCC |
| Spectrum/Structure Validation Score (Raman) | 0.981808 |