| SpectraBase Compound ID | IkamDcajCVp |
|---|---|
| InChI | InChI=1S/C21H34O2/c1-4-5-6-7-8-9-10-11-12-13-16-23-21(22)20-15-14-18(2)17-19(20)3/h14-15,17H,4-13,16H2,1-3H3 |
| InChIKey | GQTNKLLJAQMRLR-UHFFFAOYSA-N |
| Mol Weight | 318.5 g/mol |
| Molecular Formula | C21H34O2 |
| Exact Mass | 318.25588 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LUlPfMGxLzI |
|---|---|
| Name | Benzoic acid, 2,4-dimethyl-, dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.255880333 u |
| Formula | C21H34O2 |
| InChI | InChI=1S/C21H34O2/c1-4-5-6-7-8-9-10-11-12-13-16-23-21(22)20-15-14-18(2)17-19(20)3/h14-15,17H,4-13,16H2,1-3H3 |
| InChIKey | GQTNKLLJAQMRLR-UHFFFAOYSA-N |
| Molecular Weight | 318.501 g/mol |
| SMILES | C(C1=CC=C(C=C1C)C)(=O)OCCCCCCCCCCCC |