| SpectraBase Compound ID | 17qRFQfTZPf |
|---|---|
| InChI | InChI=1S/C16H28O3/c1-19-16(18)13-9-4-2-3-8-12-15(17)14-10-6-5-7-11-14/h14H,2-13H2,1H3 |
| InChIKey | BAJSCVODKPXLAZ-UHFFFAOYSA-N |
| Mol Weight | 268.4 g/mol |
| Molecular Formula | C16H28O3 |
| Exact Mass | 268.203845 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8cRtdxasyaa |
|---|---|
| Name | Methyl 9-oxo-9-cyclohexylnonanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.203844759 u |
| Formula | C16H28O3 |
| InChI | InChI=1S/C16H28O3/c1-19-16(18)13-9-4-2-3-8-12-15(17)14-10-6-5-7-11-14/h14H,2-13H2,1H3 |
| InChIKey | BAJSCVODKPXLAZ-UHFFFAOYSA-N |
| SMILES | C(CCCCCCCC(C1CCCCC1)=O)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935212 |