| SpectraBase Compound ID | AA58RKVJZR0 |
|---|---|
| InChI | InChI=1S/C12H26O3/c1-2-3-4-5-6-7-8-12(9-13,10-14)11-15/h13-15H,2-11H2,1H3 |
| InChIKey | YURQLUXJGMVKDT-UHFFFAOYSA-N |
| Mol Weight | 218.34 g/mol |
| Molecular Formula | C12H26O3 |
| Exact Mass | 218.188195 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CQIguoNmKhf |
|---|---|
| Name | 2-(Hydroxymethyl)-2-octyl-1,3-propanediol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.188194694 u |
| Formula | C12H26O3 |
| InChI | InChI=1S/C12H26O3/c1-2-3-4-5-6-7-8-12(9-13,10-14)11-15/h13-15H,2-11H2,1H3 |
| InChIKey | YURQLUXJGMVKDT-UHFFFAOYSA-N |
| Molecular Weight | 218.337 g/mol |
| SMILES | OCC(CO)(CO)CCCCCCCC |
| Spectrum/Structure Validation Score (Raman) | 0.992002 |