| SpectraBase Compound ID | 7tfAfpfxtYF |
|---|---|
| InChI | InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3/i1D3,3D2,4D2,5D2,6D2,7D,8D,9D2,10D,11D,12D2,13D2,14D2,15D2,16D2,17D2,18D2 |
| InChIKey | HPEUJPJOZXNMSJ-YBWHMFHESA-N |
| Mol Weight | 329.7 g/mol |
| Molecular Formula | C19H72D31O2 |
| Exact Mass | 329.48176 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GjzjfYLPfXA |
|---|---|
| Name | Methyl 9,10,12,13-tetrahydro perdeuterio octadecanoate |
| CAS Registry Number | 56666-37-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H7D31O2 |
| InChI | InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3/i1D3,3D2,4D2,5D2,6D2,7D,8D,9D2,10D,11D,12D2,13D2,14D2,15D2,16D2,17D2,18D2 |
| InChIKey | HPEUJPJOZXNMSJ-YBWHMFHESA-N |
| Molecular Weight | 329.700 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 | splash10-004i-9110000000-e827ff752cb988ededd1 |
| Source of Spectrum | EP-5169-0-0 |
| Wiley ID | 1301415 |