| SpectraBase Compound ID | 8vyeyIMIH8E |
|---|---|
| InChI | InChI=1S/C21H36O3/c1-5-6-7-8-9-10-11-12-13-14-15-18-19(22-2)16-17-20(23-3)21(18)24-4/h16-17H,5-15H2,1-4H3 |
| InChIKey | PULGZMMPVBVIRD-UHFFFAOYSA-N |
| Mol Weight | 336.5 g/mol |
| Molecular Formula | C21H36O3 |
| Exact Mass | 336.266445 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ILlhVkkgKcX |
|---|---|
| Name | 3-Dodecyl-1,2,4-trimethoxybenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.266445016 u |
| Formula | C21H36O3 |
| InChI | InChI=1S/C21H36O3/c1-5-6-7-8-9-10-11-12-13-14-15-18-19(22-2)16-17-20(23-3)21(18)24-4/h16-17H,5-15H2,1-4H3 |
| InChIKey | PULGZMMPVBVIRD-UHFFFAOYSA-N |
| Molecular Weight | 336.516 g/mol |
| SMILES | C1(=C(C(OC)=CC=C1OC)OC)CCCCCCCCCCCC |