| SpectraBase Compound ID | K1qGSacGbjH |
|---|---|
| InChI | InChI=1S/C21H42O/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-22-6/h16,18-20H,7-15,17H2,1-6H3/b21-16+/i6D3 |
| InChIKey | HJMZWDOOERQMND-HEGBIGDTSA-N |
| Mol Weight | 313.6 g/mol |
| Molecular Formula | C21H392D3O |
| Exact Mass | 313.342396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ICJOaYASkPi |
|---|---|
| Name | Phytyl trideuteromethyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.342396209 u |
| Formula | C21H39[2D]3O |
| InChI | InChI=1S/C21H42O/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-22-6/h16,18-20H,7-15,17H2,1-6H3/b21-16+/i6D3 |
| InChIKey | HJMZWDOOERQMND-HEGBIGDTSA-N |
| Molecular Weight | 313.584 g/mol |
| SMILES | C(\C=C\(CCCC(CCCC(CCCC(C)C)C)C)C)OC([2D])([2D])[2D] |