| SpectraBase Compound ID | HrNwaxdMLTH |
|---|---|
| InChI | InChI=1S/C16H34O2/c1-2-3-4-7-10-13-16(18)14-11-8-5-6-9-12-15-17/h16-18H,2-15H2,1H3 |
| InChIKey | HKIJFGUJQGNIGO-UHFFFAOYSA-N |
| Mol Weight | 258.4 g/mol |
| Molecular Formula | C16H34O2 |
| Exact Mass | 258.25588 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7LPiasJv32k |
|---|---|
| Name | Hexadecane-1,9-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.255880333 u |
| Formula | C16H34O2 |
| InChI | InChI=1S/C16H34O2/c1-2-3-4-7-10-13-16(18)14-11-8-5-6-9-12-15-17/h16-18H,2-15H2,1H3 |
| InChIKey | HKIJFGUJQGNIGO-UHFFFAOYSA-N |
| Molecular Weight | 258.446 g/mol |
| SMILES | C(O)(CCCCCCCCO)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.891072 |