![(2E)-Ethyl-6-oxo[2-trideuteriomethyl-5,5-D5]hex-2-enoate](/api/spectrum/JYzwA4R7z7E/structure.png?h=300&w=458 "(2E)-Ethyl-6-oxo[2-trideuteriomethyl-5,5-D5]hex-2-enoate")
| SpectraBase Compound ID | 3yqHAwWoKxM |
|---|---|
| InChI | InChI=1S/C9H14O3/c1-3-12-9(11)8(2)6-4-5-7-10/h6-7H,3-5H2,1-2H3/b8-6+/i2D3,5D2 |
| InChIKey | GWPLLGHREMMZHY-MPEQDPBNSA-N |
| Mol Weight | 175.24 g/mol |
| Molecular Formula | C9H9D5O3 |
| Exact Mass | 175.125678 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JYzwA4R7z7E |
|---|---|
| Name | (2E)-Ethyl-6-oxo[2-trideuteriomethyl-5,5-D5]hex-2-enoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H9D5O3 |
| InChI | InChI=1S/C9H14O3/c1-3-12-9(11)8(2)6-4-5-7-10/h6-7H,3-5H2,1-2H3/b8-6+/i2D3,5D2 |
| InChIKey | GWPLLGHREMMZHY-MPEQDPBNSA-N |
| Molecular Weight | 175.239 g/mol |
| SMILES | C(\C(=C\CC(C=O)([D])[D])C([D])([D])[D])(=O)OCC |
| SPLASH | splash10-0ukc-8900000000-ab78776e12c268f332e3 |
| Source of Spectrum | F-50-6869-13 |
| Wiley ID | 1166696 |