| SpectraBase Compound ID | FEcdhpbyxg8 |
|---|---|
| InChI | InChI=1S/C8H16O2/c9-5-7-2-1-3-8(4-7)6-10/h7-10H,1-6H2 |
| InChIKey | LUSFFPXRDZKBMF-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 | GFqck97D7cI |
|---|---|
| Name | 1,3-Cyclohexanedimethanol |
| 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/c9-5-7-2-1-3-8(4-7)6-10/h7-10H,1-6H2 |
| InChIKey | LUSFFPXRDZKBMF-UHFFFAOYSA-N |
| Molecular Weight | 144.214 g/mol |
| SMILES | OCC1CC(CO)CCC1 |
| Spectrum/Structure Validation Score (Raman) | 0.771024 |