| SpectraBase Compound ID | IBpqpOYZX35 |
|---|---|
| InChI | InChI=1S/C27H56/c1-5-9-12-15-17-20-23-26-27(8-4,24-21-18-14-11-7-3)25-22-19-16-13-10-6-2/h5-26H2,1-4H3 |
| InChIKey | LRJHOBBNMAGOIG-UHFFFAOYSA-N |
| Mol Weight | 380.7 g/mol |
| Molecular Formula | C27H56 |
| Exact Mass | 380.438202 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1vi32Sy7Gar |
|---|---|
| Name | Octadecane, 9-ethyl-9-heptyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.438201803 u |
| Formula | C27H56 |
| InChI | InChI=1S/C27H56/c1-5-9-12-15-17-20-23-26-27(8-4,24-21-18-14-11-7-3)25-22-19-16-13-10-6-2/h5-26H2,1-4H3 |
| InChIKey | LRJHOBBNMAGOIG-UHFFFAOYSA-N |
| Molecular Weight | 380.745 g/mol |
| SMILES | C(C(CCCCCCCC)(CCCCCCC)CC)CCCCCCCC |