| SpectraBase Compound ID | GHkj0PWZrI0 |
|---|---|
| InChI | InChI=1S/C31H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-33-31(32)30-27-24-23-25-28-30/h23-25,27-28H,2-22,26,29H2,1H3 |
| InChIKey | XEJNCYYPJMMJGL-UHFFFAOYSA-N |
| Mol Weight | 458.8 g/mol |
| Molecular Formula | C31H54O2 |
| Exact Mass | 458.412381 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6sWtZR8iYWT |
|---|---|
| Name | Tetracosyl benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 458.412380977 u |
| Formula | C31H54O2 |
| InChI | InChI=1S/C31H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-33-31(32)30-27-24-23-25-28-30/h23-25,27-28H,2-22,26,29H2,1H3 |
| InChIKey | XEJNCYYPJMMJGL-UHFFFAOYSA-N |
| Molecular Weight | 458.771 g/mol |
| SMILES | C(CCCCCCCCCCCCCCCCCCCCCCC)OC(C1=CC=CC=C1)=O |