| SpectraBase Compound ID | KMc7q693eDh |
|---|---|
| InChI | InChI=1S/C17H34O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h3-16H2,1-2H3 |
| InChIKey | PXJYBWGEOVYLSM-UHFFFAOYSA-N |
| Mol Weight | 254.5 g/mol |
| Molecular Formula | C17H34O |
| Exact Mass | 254.260966 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | I6OnpGn1GdV |
|---|---|
| Name | 3-Heptadecanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.260965714 u |
| Formula | C17H34O |
| InChI | InChI=1S/C17H34O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h3-16H2,1-2H3 |
| InChIKey | PXJYBWGEOVYLSM-UHFFFAOYSA-N |
| Molecular Weight | 254.458 g/mol |
| SMILES | CCC(CCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.830257 |