| SpectraBase Compound ID | 3l53hziQZ5y |
|---|---|
| InChI | InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-2/h3-19H2,1-2H3/i1D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2,19D2 |
| InChIKey | BDXAHSJUDUZLDU-PEPXYJQKSA-N |
| Mol Weight | 349.76 g/mol |
| Molecular Formula | C20H32D37O2 |
| Exact Mass | 349.53507 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IuscrijOJKi |
|---|---|
| Name | Methyl perdeuterio-nonadecanoate |
| CAS Registry Number | 55955-84-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H3D37O2 |
| InChI | InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-2/h3-19H2,1-2H3/i1D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2,19D2 |
| InChIKey | BDXAHSJUDUZLDU-PEPXYJQKSA-N |
| Molecular Weight | 349.764 g/mol |
| SMILES | C(=O)(OC)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] |
| SPLASH | splash10-004j-9102000000-bcafa877646a2a26fa55 |
| Source of Spectrum | N-1-118-2 |
| Wiley ID | 1313757 |