| SpectraBase Compound ID | BfQWx1fCdj8 |
|---|---|
| InChI | InChI=1S/C17H20O3/c1-3-4-5-6-7-8-9-16(18)14-10-12-15(13-11-14)17(19)20-2/h10-13H,3-7H2,1-2H3 |
| InChIKey | OWYLKTAIEBCQNL-UHFFFAOYSA-N |
| Mol Weight | 272.34 g/mol |
| Molecular Formula | C17H20O3 |
| Exact Mass | 272.141245 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7EKKZ068Dlw |
|---|---|
| Name | 4-(1-oxo-2-Nonynyl)-benzoic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.141244501 u |
| Formula | C17H20O3 |
| InChI | InChI=1S/C17H20O3/c1-3-4-5-6-7-8-9-16(18)14-10-12-15(13-11-14)17(19)20-2/h10-13H,3-7H2,1-2H3 |
| InChIKey | OWYLKTAIEBCQNL-UHFFFAOYSA-N |
| SMILES | c1(ccc(cc1)C(C#CCCCCCC)=O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951256 |