| SpectraBase Compound ID | 25f77dnOuQe |
|---|---|
| InChI | InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3/t9-,10+,11+ |
| InChIKey | UAINLAXRDPKCOO-URLYPYJESA-N |
| Mol Weight | 211.3 g/mol |
| Molecular Formula | C12H21NO2 |
| Exact Mass | 211.157229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4zcyCIHMgXn |
|---|---|
| Name | Butropine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.157228918 u |
| Formula | C12H21NO2 |
| InChI | InChI=1S/C12H21NO2/c1-8(2)12(14)15-11-6-9-4-5-10(7-11)13(9)3/h8-11H,4-7H2,1-3H3/t9-,10+,11+ |
| InChIKey | UAINLAXRDPKCOO-URLYPYJESA-N |
| Molecular Weight | 211.305 g/mol |
| SMILES | [C@]12(N([C@](C[C@](C2)(OC(C(C)C)=O)[H])(CC1)[H])C)[H] |