| SpectraBase Compound ID | HGTMkEIaxWC |
|---|---|
| InChI | InChI=1S/C17H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h4-5,7-8,10-11H,3,6,9,12-16H2,1-2H3/b5-4+,8-7+,11-10+/i1D3,3D2,4D,5D,6D2,7D,8D,9D2,10D,11D,12D2,13D2,14D2,15D2,16D2 |
| InChIKey | DUOCBVNCDAEWTB-YWXWCXMQSA-N |
| Mol Weight | 289.56 g/mol |
| Molecular Formula | C17H32D25O2 |
| Exact Mass | 289.365849 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DPdpDHakEkU |
|---|---|
| Name | Methyl perdeuterio-hexadeca-7,10,13-trienoate |
| CAS Registry Number | 55044-45-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H3D25O2 |
| InChI | InChI=1S/C17H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h4-5,7-8,10-11H,3,6,9,12-16H2,1-2H3/b5-4+,8-7+,11-10+/i1D3,3D2,4D,5D,6D2,7D,8D,9D2,10D,11D,12D2,13D2,14D2,15D2,16D2 |
| InChIKey | DUOCBVNCDAEWTB-YWXWCXMQSA-N |
| Molecular Weight | 289.562 g/mol |
| SMILES | C(=O)(OC)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] |
| SPLASH | splash10-0079-9400000000-d1f1ef31e1b83965d6e3 |
| Source of Spectrum | HO-0-1682-0 |
| Wiley ID | 1268408 |