| SpectraBase Compound ID | AIZt6kf3bGI |
|---|---|
| InChI | InChI=1S/C18H34O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(16(2)19)18(20)21-3/h17H,4-15H2,1-3H3 |
| InChIKey | UGNWWZVCEYEJFU-UHFFFAOYSA-N |
| Mol Weight | 298.5 g/mol |
| Molecular Formula | C18H34O3 |
| Exact Mass | 298.250795 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HkVEoAgx4Bl |
|---|---|
| Name | Methyl 2-acetylpentadecanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.250794952 u |
| Formula | C18H34O3 |
| InChI | InChI=1S/C18H34O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(16(2)19)18(20)21-3/h17H,4-15H2,1-3H3 |
| InChIKey | UGNWWZVCEYEJFU-UHFFFAOYSA-N |
| SMILES | CC(=O)C(CCCCCCCCCCCCC)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.83432 |