| SpectraBase Compound ID | HEUBcJXyNDE |
|---|---|
| InChI | InChI=1S/C19H28O2/c1-3-4-5-6-7-8-9-10-11-16-21-19(20)18-14-12-17(2)13-15-18/h10-15H,3-9,16H2,1-2H3/b11-10+ |
| InChIKey | LPDKAMRSUALKNB-ZHACJKMWSA-N |
| Mol Weight | 288.43 g/mol |
| Molecular Formula | C19H28O2 |
| Exact Mass | 288.20893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9xDpGpH2Zon |
|---|---|
| Name | p-Toluic acid, undec-2-enyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.208930140 u |
| Formula | C19H28O2 |
| InChI | InChI=1S/C19H28O2/c1-3-4-5-6-7-8-9-10-11-16-21-19(20)18-14-12-17(2)13-15-18/h10-15H,3-9,16H2,1-2H3/b11-10+ |
| InChIKey | LPDKAMRSUALKNB-ZHACJKMWSA-N |
| SMILES | C(=O)(OC\C=C\CCCCCCCC)C=1C=CC(C)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.835904 |