| SpectraBase Compound ID | BIOSWXYqxjk |
|---|---|
| InChI | InChI=1S/C19H32O/c1-3-4-5-6-7-8-9-10-11-12-17-20-19-15-13-18(2)14-16-19/h13-16H,3-12,17H2,1-2H3 |
| InChIKey | XGSLTJBILNOJCV-UHFFFAOYSA-N |
| Mol Weight | 276.5 g/mol |
| Molecular Formula | C19H32O |
| Exact Mass | 276.245316 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | IxgeqdDGVl4 |
|---|---|
| Name | Dodecyl p-tolyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.245315649 u |
| Formula | C19H32O |
| InChI | InChI=1S/C19H32O/c1-3-4-5-6-7-8-9-10-11-12-17-20-19-15-13-18(2)14-16-19/h13-16H,3-12,17H2,1-2H3 |
| InChIKey | XGSLTJBILNOJCV-UHFFFAOYSA-N |
| Molecular Weight | 276.464 g/mol |
| SMILES | C=1C(=CC=C(C1)C)OCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Raman) | 0.995616 |