| SpectraBase Compound ID | 3G6p1fDFsMH |
|---|---|
| InChI | InChI=1S/C17H28O/c1-2-3-4-5-6-7-8-9-10-12-16-13-11-14-17(18)15-16/h11,13-15,18H,2-10,12H2,1H3 |
| InChIKey | HWIKMSXIILZULT-UHFFFAOYSA-N |
| Mol Weight | 248.41 g/mol |
| Molecular Formula | C17H28O |
| Exact Mass | 248.214016 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | D4XKE7TknqC |
|---|---|
| Name | Phenol, 3-undecyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.214015521 u |
| Formula | C17H28O |
| InChI | InChI=1S/C17H28O/c1-2-3-4-5-6-7-8-9-10-12-16-13-11-14-17(18)15-16/h11,13-15,18H,2-10,12H2,1H3 |
| InChIKey | HWIKMSXIILZULT-UHFFFAOYSA-N |
| Molecular Weight | 248.410 g/mol |
| SMILES | C(CC1=CC(O)=CC=C1)CCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.913836 |