| SpectraBase Compound ID | 3xbwxLWXHUg |
|---|---|
| InChI | InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2,19D2,20D2,21D2,22D2 |
| InChIKey | QSQLTHHMFHEFIY-SAUBADBTSA-N |
| Mol Weight | 400.9 g/mol |
| Molecular Formula | C232D46O2 |
| Exact Mass | 400.638511 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KTGcji60237 |
|---|---|
| Name | Perdeuterio-methyl docosanoate |
| CAS Registry Number | 39756-42-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23D46O2 |
| InChI | InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2,19D2,20D2,21D2,22D2 |
| InChIKey | QSQLTHHMFHEFIY-SAUBADBTSA-N |
| Molecular Weight | 400.900 g/mol |
| SMILES | C(=O)(OC([2D])([2D])[2D])C(C(C([2D])([2D])C([2D])([2D])C([2D])([2D])C([2D])([2D])C(C(C(C(C(C(C(C([2D])([2D])C([2D])([2D])C([2D])([2D])C([2D])(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] |
| SPLASH | splash10-0f8c-9100100000-d1cbbefb16bb11900c70 |
| Source of Spectrum | N-2-176-11 |
| Wiley ID | 1344977 |