| SpectraBase Compound ID | FRHo31fsB4U |
|---|---|
| InChI | InChI=1S/C18H38/c1-4-6-8-10-11-12-13-15-17-18(3)16-14-9-7-5-2/h18H,4-17H2,1-3H3/i1D3 |
| InChIKey | AZGIFKCGYRMPKP-FIBGUPNXSA-N |
| Mol Weight | 257.5 g/mol |
| Molecular Formula | C18H352D3 |
| Exact Mass | 257.316181 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LDfloB8RT9v |
|---|---|
| Name | 1,1,1-Trideuterio-11-methylheptadecane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.316181461 u |
| Formula | C18H35[2D]3 |
| InChI | InChI=1S/C18H38/c1-4-6-8-10-11-12-13-15-17-18(3)16-14-9-7-5-2/h18H,4-17H2,1-3H3/i1D3 |
| InChIKey | AZGIFKCGYRMPKP-FIBGUPNXSA-N |
| Molecular Weight | 257.520 g/mol |
| SMILES | C(CCCCCCCCCC([2D])([2D])[2D])(CCCCCC)C |