| SpectraBase Compound ID | 4jerBvgKE9B |
|---|---|
| InChI | InChI=1S/C21H36O/c1-3-14-20(2)15-10-7-5-4-6-8-13-18-22-19-21-16-11-9-12-17-21/h9,11-12,16-17,20H,3-8,10,13-15,18-19H2,1-2H3/t20-/m1/s1 |
| InChIKey | UPAYNTKFFAZWJU-HXUWFJFHSA-N |
| Mol Weight | 304.5 g/mol |
| Molecular Formula | C21H36O |
| Exact Mass | 304.276616 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I8shR2X4gya |
|---|---|
| Name | (R)-1-Benzyloxy-10-methyltridecane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.276615778 u |
| Formula | C21H36O |
| InChI | InChI=1S/C21H36O/c1-3-14-20(2)15-10-7-5-4-6-8-13-18-22-19-21-16-11-9-12-17-21/h9,11-12,16-17,20H,3-8,10,13-15,18-19H2,1-2H3/t20-/m1/s1 |
| InChIKey | UPAYNTKFFAZWJU-HXUWFJFHSA-N |
| Molecular Weight | 304.518 g/mol |
| SMILES | C=1(COCCCCCCCCC[C@@](CCC)(C)[H])C=CC=CC1 |