| SpectraBase Compound ID | 3S0ZwHO3RbC |
|---|---|
| InChI | InChI=1S/C19H32O/c1-3-4-5-6-7-8-9-10-11-12-14-18-15-13-16-19(17-18)20-2/h13,15-17H,3-12,14H2,1-2H3 |
| InChIKey | LYZFEFQITWUSHD-UHFFFAOYSA-N |
| Mol Weight | 276.5 g/mol |
| Molecular Formula | C19H32O |
| Exact Mass | 276.245316 g/mol |
| SpectraBase Spectrum ID | FbqOn6P5qTE |
|---|---|
| Name | m-Dodecylanisole |
| 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/c1-3-4-5-6-7-8-9-10-11-12-14-18-15-13-16-19(17-18)20-2/h13,15-17H,3-12,14H2,1-2H3 |
| InChIKey | LYZFEFQITWUSHD-UHFFFAOYSA-N |
| Molecular Weight | 276.464 g/mol |
| SMILES | C=1C(=CC=CC1OC)CCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Raman) | 0.989232 |