| SpectraBase Compound ID | DsRZjjLtu61 |
|---|---|
| InChI | InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7+,11-10+/i1D3,3D2,4D2,5D2,6D2,7D,8D,9D2,10D,11D,12D2,13D2,14D2,15D2,16D2,17D2,18D2 |
| InChIKey | WTTJVINHCBCLGX-WYAYNHRJSA-N |
| Mol Weight | 325.67 g/mol |
| Molecular Formula | C19H32D31O2 |
| Exact Mass | 325.450459 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5lFUEOQjQtB |
|---|---|
| Name | Methyl perdeutero octadecadienoate |
| CAS Registry Number | 29849-76-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H3D31O2 |
| InChI | InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7+,11-10+/i1D3,3D2,4D2,5D2,6D2,7D,8D,9D2,10D,11D,12D2,13D2,14D2,15D2,16D2,17D2,18D2 |
| InChIKey | WTTJVINHCBCLGX-WYAYNHRJSA-N |
| Molecular Weight | 325.668 g/mol |
| SMILES | C(=O)(OC)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] |
| SPLASH | splash10-0706-9500000000-83eacf593a054eb167f7 |
| Source of Spectrum | HO-0-1679-0 |
| Synonyms | Methyl perdeuterooatadeca-9,12-dienoate Methyl perdeuterio-octadeca-9,12-dienoate Perdeutero octadecadienoate |
| Wiley ID | 43495 |