| SpectraBase Compound ID | fkhYYXNDr2 |
|---|---|
| InChI | InChI=1S/C16H32O3/c1-3-5-7-8-9-10-11-13-15(17)16(18)19-14-12-6-4-2/h15,17H,3-14H2,1-2H3 |
| InChIKey | NTTPEASBLITMPH-UHFFFAOYSA-N |
| Mol Weight | 272.4 g/mol |
| Molecular Formula | C16H32O3 |
| Exact Mass | 272.235145 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LvVG6p5HoFG |
|---|---|
| Name | Pentyl 2-hydroxyundecanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.235144887 u |
| Formula | C16H32O3 |
| InChI | InChI=1S/C16H32O3/c1-3-5-7-8-9-10-11-13-15(17)16(18)19-14-12-6-4-2/h15,17H,3-14H2,1-2H3 |
| InChIKey | NTTPEASBLITMPH-UHFFFAOYSA-N |
| SMILES | C(=O)(C(O)CCCCCCCCC)OCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952826 |