| SpectraBase Compound ID | 2it41w0tAQE |
|---|---|
| InChI | InChI=1S/C19H30O2/c1-3-4-5-6-7-8-9-13-16-21-19(20)17(2)18-14-11-10-12-15-18/h10-12,14-15,17H,3-9,13,16H2,1-2H3 |
| InChIKey | GOPJTRGPASXDEC-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 | 3joN6iEB1UG |
|---|---|
| Name | Hydratropic 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/c1-3-4-5-6-7-8-9-13-16-21-19(20)17(2)18-14-11-10-12-15-18/h10-12,14-15,17H,3-9,13,16H2,1-2H3 |
| InChIKey | GOPJTRGPASXDEC-UHFFFAOYSA-N |
| SMILES | C1=CC=CC(=C1)C(C(=O)OCCCCCCCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950271 |