| SpectraBase Compound ID | E5yMjfahWjj |
|---|---|
| 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/i1D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2,19D2,20D2,21D2,22D2 |
| InChIKey | QSQLTHHMFHEFIY-UHGKWLNCSA-N |
| Mol Weight | 397.88 g/mol |
| Molecular Formula | C23H32D43O2 |
| Exact Mass | 397.619681 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B2jBQdx8W7 |
|---|---|
| Name | Methyl perdeuterio-docosanoate |
| CAS Registry Number | 13432-90-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H3D43O2 |
| 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/i1D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2,19D2,20D2,21D2,22D2 |
| InChIKey | QSQLTHHMFHEFIY-UHGKWLNCSA-N |
| Molecular Weight | 397.881 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(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])([2D])[2D])([2D])[2D] |
| SPLASH | splash10-004i-9102000000-5592e98e6a509d03a4ea |
| Source of Spectrum | N-2-176-10 |
| Wiley ID | 1344978 |