| SpectraBase Compound ID | BIdAKSuBVaT |
|---|---|
| InChI | InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h8-9H,3-7,10-12H2,1-2H3/b9-8+/i8D,9D |
| InChIKey | COACURUOBAVMFJ-PSOXUGQUSA-N |
| Mol Weight | 214.35 g/mol |
| Molecular Formula | C13H222D2O2 |
| Exact Mass | 214.190184 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GU8z8qfCWyA |
|---|---|
| Name | Methyl 5,6-dideuterio-dodec-5-enoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H22D2O2 |
| InChI | InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h8-9H,3-7,10-12H2,1-2H3/b9-8+/i8D,9D |
| InChIKey | COACURUOBAVMFJ-PSOXUGQUSA-N |
| Molecular Weight | 214.345 g/mol |
| SMILES | C(=O)(OC)CCC\C(=C\(CCCCCC)[2D])[2D] |
| SPLASH | splash10-052f-9100000000-393ecb0448ccdba949d9 |
| Source of Spectrum | H-87-195-0 |
| Wiley ID | 1563575 |