| SpectraBase Compound ID | Akmb8flmVeV |
|---|---|
| InChI | InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h3-17H2,1-2H3/i1D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2 |
| InChIKey | HUEBIMLTDXKIPR-QXZIXZDNSA-N |
| Mol Weight | 315.67 g/mol |
| Molecular Formula | C18H52D31O2 |
| Exact Mass | 315.46611 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | D0KHw4L8iyD |
|---|---|
| Name | Methyl 2,2-diprotio-hentriacontadeutero-heptadecanoate |
| CAS Registry Number | 55124-93-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H5D31O2 |
| InChI | InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h3-17H2,1-2H3/i1D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2 |
| InChIKey | HUEBIMLTDXKIPR-QXZIXZDNSA-N |
| Molecular Weight | 315.673 g/mol |
| SMILES | C(=O)(OC)CC(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 | splash10-00ou-9211000000-88907b9ef96188275460 |
| Source of Spectrum | A-0-0-227 |
| Wiley ID | 1288351 |