| SpectraBase Compound ID | GCLifXWhw6C |
|---|---|
| InChI | InChI=1S/C19H30O2/c1-3-5-6-7-8-9-10-11-16-21-19(20)18-14-12-17(4-2)13-15-18/h12-15H,3-11,16H2,1-2H3 |
| InChIKey | JBYFSNMULQLDCN-UHFFFAOYSA-N |
| Mol Weight | 290.45 g/mol |
| Molecular Formula | C19H30O2 |
| Exact Mass | 290.22458 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6rmGY9rcsoM |
|---|---|
| Name | 4-Ethylbenzoic acid, decyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.224580204 u |
| Formula | C19H30O2 |
| InChI | InChI=1S/C19H30O2/c1-3-5-6-7-8-9-10-11-16-21-19(20)18-14-12-17(4-2)13-15-18/h12-15H,3-11,16H2,1-2H3 |
| InChIKey | JBYFSNMULQLDCN-UHFFFAOYSA-N |
| SMILES | C(=O)(OCCCCCCCCCC)C1=CC=C(CC)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9618 |