| SpectraBase Compound ID | CTyyp9Z8Vuo |
|---|---|
| InChI | InChI=1S/C21H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h3-20H2,1-2H3/i1D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2,19D2,20D2 |
| InChIKey | QGBRLVONZXHAKJ-NKDSIHOSSA-N |
| Mol Weight | 365.8 g/mol |
| Molecular Formula | C21H32D39O2 |
| Exact Mass | 365.563274 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4cPi0pwtsIl |
|---|---|
| Name | Methyl perdeuterio-eicosanoate |
| CAS Registry Number | 39756-40-6 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H3D39O2 |
| InChI | InChI=1S/C21H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h3-20H2,1-2H3/i1D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2,19D2,20D2 |
| InChIKey | QGBRLVONZXHAKJ-NKDSIHOSSA-N |
| Molecular Weight | 365.803 g/mol |
| SMILES | C(=O)(OC)C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C([2D])([2D])[2D])([2D])[2D])([2D])[2D])([2D])[2D])([2D])[2D])([2D])[2D])([2D])[2D])([2D])[2D])([2D])[2D])([2D])[2D])([2D])[2D])([2D])[2D])([2D])[2D])([2D])[2D])([2D])[2D])([2D])[2D])([2D])[2D])([2D])[2D])([2D])[2D] |
| SPLASH | splash10-00ou-9102000000-6b3e6112ce7f8766e0f6 |
| Source of Spectrum | N-2-176-9 |
| Wiley ID | 1325177 |