| SpectraBase Compound ID | 1NelOK9CsNX |
|---|---|
| InChI | InChI=1S/C18H36O/c1-3-5-7-9-10-11-12-13-15-17-18(19)16-14-8-6-4-2/h3-17H2,1-2H3 |
| InChIKey | HHQOJAVJSCPMAC-UHFFFAOYSA-N |
| Mol Weight | 268.5 g/mol |
| Molecular Formula | C18H36O |
| Exact Mass | 268.276616 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8t2L5BmuNXM |
|---|---|
| Name | 7-Octadecanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.276615778 u |
| Formula | C18H36O |
| InChI | InChI=1S/C18H36O/c1-3-5-7-9-10-11-12-13-15-17-18(19)16-14-8-6-4-2/h3-17H2,1-2H3 |
| InChIKey | HHQOJAVJSCPMAC-UHFFFAOYSA-N |
| Molecular Weight | 268.485 g/mol |
| SMILES | CCCCCCCCCCCC(CCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.830278 |