![[2H11]Adalinine](/api/spectrum/JwLEcRDlSZp/structure.png?h=300&w=458 "[2H11]Adalinine")
| SpectraBase Compound ID | I8ecKVN4UPu |
|---|---|
| InChI | InChI=1S/C13H23NO/c1-2-3-4-7-13-8-5-6-11(14-13)9-12(15)10-13/h11,14H,2-10H2,1H3/t11-,13-/m1/s1/i1D3,2D,4D,5D,7D2,9D2,11D/t2?,4?,5?,11-,13- |
| InChIKey | KHMVXSQLPUNRCF-IAFWXOOASA-N |
| Mol Weight | 220.4 g/mol |
| Molecular Formula | C13H122D11NO |
| Exact Mass | 220.247009 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JwLEcRDlSZp |
|---|---|
| Name | [2H11]Adalinine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H12D11NO |
| InChI | InChI=1S/C13H23NO/c1-2-3-4-7-13-8-5-6-11(14-13)9-12(15)10-13/h11,14H,2-10H2,1H3/t11-,13-/m1/s1/i1D3,2D,4D,5D,7D2,9D2,11D/t2?,4?,5?,11-,13- |
| InChIKey | KHMVXSQLPUNRCF-IAFWXOOASA-N |
| Molecular Weight | 220.400 g/mol |
| SMILES | N1[C@]2(C(C(C[C@]1(CC(C2)[2D])C(C(CC(C([2D])([2D])[2D])[2D])[2D])([2D])[2D])=O)([2D])[2D])[2D] |
| SPLASH | splash10-0ik9-5900000000-60457433281b31be40c5 |
| Source of Spectrum | KC-57-3412-3 |
| Wiley ID | 1623795 |