| SpectraBase Compound ID | 8rTYBGroGjS |
|---|---|
| InChI | InChI=1S/C27H54O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-27(28)25-26(2)3/h26H,4-25H2,1-3H3 |
| InChIKey | OFRPMAQLXIEORX-UHFFFAOYSA-N |
| Mol Weight | 410.7 g/mol |
| Molecular Formula | C27H54O2 |
| Exact Mass | 410.412381 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 | 9vbp8sgS4kE |
|---|---|
| Name | Docosyl, isovalerate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.412380977 u |
| Formula | C27H54O2 |
| InChI | InChI=1S/C27H54O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-27(28)25-26(2)3/h26H,4-25H2,1-3H3 |
| InChIKey | OFRPMAQLXIEORX-UHFFFAOYSA-N |
| Molecular Weight | 410.727 g/mol |
| SMILES | C(CC(C)C)(=O)OCCCCCCCCCCCCCCCCCCCCCC |