| SpectraBase Compound ID | H0I4sgWS7I5 |
|---|---|
| InChI | InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-13(15)12(14)4-2/h13,15H,3-11H2,1-2H3 |
| InChIKey | DKRHOIWFCLJSFS-UHFFFAOYSA-N |
| Mol Weight | 214.35 g/mol |
| Molecular Formula | C13H26O2 |
| Exact Mass | 214.19328 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E5rC1HVwPsh |
|---|---|
| Name | 4-Hydroxytridecan-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.193280075 u |
| Formula | C13H26O2 |
| InChI | InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-13(15)12(14)4-2/h13,15H,3-11H2,1-2H3 |
| InChIKey | DKRHOIWFCLJSFS-UHFFFAOYSA-N |
| Molecular Weight | 214.349 g/mol |
| SMILES | C(=O)(C(O)CCCCCCCCC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935208 |