![N-[(S)-1-Phenylethyl]-1-[2H11]pentyl-9-azabicyclo[3.3,1]nonan-3-one](/api/spectrum/CTxPJVkE1SE/structure.png?h=300&w=458 "N-[(S)-1-Phenylethyl]-1-[2H11]pentyl-9-azabicyclo[3.3,1]nonan-3-one")
| SpectraBase Compound ID | 21kMffiHvvV |
|---|---|
| InChI | InChI=1S/C21H31NO/c1-3-4-8-13-21-14-9-12-19(15-20(23)16-21)22(21)17(2)18-10-6-5-7-11-18/h5-7,10-11,17,19H,3-4,8-9,12-16H2,1-2H3/t17-,19+,21+/m0/s1/i1D3,3D2,4D2,8D2,13D2 |
| InChIKey | XVAFAZJEYUWJGY-CQMZAXLPSA-N |
| Mol Weight | 324.55 g/mol |
| Molecular Formula | C21H202D11NO |
| Exact Mass | 324.309609 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CTxPJVkE1SE |
|---|---|
| Name | N-[(S)-1-Phenylethyl]-1-[2H11]pentyl-9-azabicyclo[3.3,1]nonan-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H20D11NO |
| InChI | InChI=1S/C21H31NO/c1-3-4-8-13-21-14-9-12-19(15-20(23)16-21)22(21)17(2)18-10-6-5-7-11-18/h5-7,10-11,17,19H,3-4,8-9,12-16H2,1-2H3/t17-,19+,21+/m0/s1/i1D3,3D2,4D2,8D2,13D2 |
| InChIKey | XVAFAZJEYUWJGY-CQMZAXLPSA-N |
| Molecular Weight | 324.552 g/mol |
| SMILES | [C@]12(N([C@@](CC(C2)=O)(CCC1)[H])[C@](c1ccccc1)(C)[H])C(C(C(C(C([2D])([2D])[2D])([2D])[2D])([2D])[2D])([2D])[2D])([2D])[2D] |
| SPLASH | splash10-0a4i-2943000000-a9bd4154b9093a908834 |
| Source of Spectrum | KC-57-3410-14 |
| Wiley ID | 1623804 |