![[12-(2)H(3)]-Isovelleral](/api/spectrum/7C7qVIyeccS/structure.png?h=300&w=458 "[12-(2)H(3)]-Isovelleral")
| SpectraBase Compound ID | Hq0RObpGwD1 |
|---|---|
| InChI | InChI=1S/C15H20O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,7,9-10,12H,5-6,8H2,1-3H3/t10?,12?,14-,15?/m1/s1/i3D3 |
| InChIKey | PJAAESPGJOSQGZ-NHFFRULQSA-N |
| Mol Weight | 235.34 g/mol |
| Molecular Formula | C15H17D3O2 |
| Exact Mass | 235.16516 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7C7qVIyeccS |
|---|---|
| Name | [12-(2)H(3)]-Isovelleral |
| CAS Registry Number | 131434-68-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H17D3O2 |
| InChI | InChI=1S/C15H20O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,7,9-10,12H,5-6,8H2,1-3H3/t10?,12?,14-,15?/m1/s1/i3D3 |
| InChIKey | PJAAESPGJOSQGZ-NHFFRULQSA-N |
| Molecular Weight | 235.341 g/mol |
| SMILES | [C@]12(C(C(C=O)=CC3C2CC(C)(C)C3)(C=O)C1)C([D])([D])[D] |
| SPLASH | splash10-052f-9300000000-88f1e5e852709a932727 |
| Source of Spectrum | J-57-3827-24 |
| Wiley ID | 1234300 |