| SpectraBase Compound ID | 7Xt058REAFI |
|---|---|
| InChI | InChI=1S/C10H17NO3/c1-8(12)7-9-5-3-4-6-11(9)10(13)14-2/h9H,3-7H2,1-2H3/t9-/m0/s1 |
| InChIKey | LBEFNWYQWULYGN-VIFPVBQESA-N |
| Mol Weight | 199.25 g/mol |
| Molecular Formula | C10H17NO3 |
| Exact Mass | 199.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5jcg9dgO3CP |
|---|---|
| Name | (-)-N-(2S)-carbomethoxypelletierine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.120843408 u |
| Formula | C10H17NO3 |
| InChI | InChI=1S/C10H17NO3/c1-8(12)7-9-5-3-4-6-11(9)10(13)14-2/h9H,3-7H2,1-2H3/t9-/m0/s1 |
| InChIKey | LBEFNWYQWULYGN-VIFPVBQESA-N |
| Molecular Weight | 199.250 g/mol |
| SMILES | C(N1[C@](CC(=O)C)(CCCC1)[H])(=O)OC |