| SpectraBase Compound ID | KeN7E5dT4ZT |
|---|---|
| InChI | InChI=1S/C17H32O/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-17/h1-16H2 |
| InChIKey | KBQDZEMXPBDNGH-UHFFFAOYSA-N |
| Mol Weight | 252.4 g/mol |
| Molecular Formula | C17H32O |
| Exact Mass | 252.245316 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 236N9vQZnIq |
|---|---|
| Name | Cycloheptadecanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.245315649 u |
| Formula | C17H32O |
| InChI | InChI=1S/C17H32O/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-17/h1-16H2 |
| InChIKey | KBQDZEMXPBDNGH-UHFFFAOYSA-N |
| Molecular Weight | 252.442 g/mol |
| SMILES | C1CCCCCCC(CCCCCCCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.897098 |