| SpectraBase Compound ID | 9JTj0XaiEuX |
|---|---|
| InChI | InChI=1S/C19H30O3/c1-3-4-5-6-7-8-9-10-11-16-22-18-14-12-17(13-15-18)19(20)21-2/h12-15H,3-11,16H2,1-2H3 |
| InChIKey | SZKFYRVEZVLGGX-UHFFFAOYSA-N |
| Mol Weight | 306.45 g/mol |
| Molecular Formula | C19H30O3 |
| Exact Mass | 306.219495 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2C7dpO81WGk |
|---|---|
| Name | p-Undecyloxybenzoic acid methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.219494823 u |
| Formula | C19H30O3 |
| InChI | InChI=1S/C19H30O3/c1-3-4-5-6-7-8-9-10-11-16-22-18-14-12-17(13-15-18)19(20)21-2/h12-15H,3-11,16H2,1-2H3 |
| InChIKey | SZKFYRVEZVLGGX-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC(=C1)C(OC)=O)OCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.911061 |