| SpectraBase Compound ID | KQK3GNWCgXk |
|---|---|
| InChI | InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h17-18H,3-16H2,1-2H3/b18-17+/i1D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D,18D |
| InChIKey | CYUVJOWXJUNPHY-FMLREOQYSA-N |
| Mol Weight | 329.7 g/mol |
| Molecular Formula | C19H32D33O2 |
| Exact Mass | 329.478663 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9DrJcmTsGPN |
|---|---|
| Name | Methyl perdeuterio octadecenoate |
| CAS Registry Number | 56555-11-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H3D33O2 |
| InChI | InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h17-18H,3-16H2,1-2H3/b18-17+/i1D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D,18D |
| InChIKey | CYUVJOWXJUNPHY-FMLREOQYSA-N |
| Molecular Weight | 329.696 g/mol |
| SMILES | 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])(=O)OC |
| SPLASH | splash10-004l-9410000000-ca6546a5781c88041beb |
| Source of Spectrum | EP-5158-0-0 |
| Wiley ID | 1299602 |