| SpectraBase Compound ID | D5icNkRORTe |
|---|---|
| InChI | InChI=1S/C18H23NO4/c1-2-19-14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,2,8-10H2,1H3/t12-,13?,14-,15+,16-,17+ |
| InChIKey | GJNYTFSYDZCYQO-SKUZMFNKSA-N |
| Mol Weight | 317.39 g/mol |
| Molecular Formula | C18H23NO4 |
| Exact Mass | 317.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ALNEGrK4IL |
|---|---|
| Name | Oxitropium-artifact 5 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.162708221 u |
| Formula | C18H23NO4 |
| InChI | InChI=1S/C18H23NO4/c1-2-19-14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,2,8-10H2,1H3/t12-,13?,14-,15+,16-,17+ |
| InChIKey | GJNYTFSYDZCYQO-SKUZMFNKSA-N |
| Molecular Weight | 317.385 g/mol |
| SMILES | OCC(C(O[C@]1(C[C@]2(N(CC)[C@]([C@@]3(O[C@]23[H])[H])(C1)[H])[H])[H])=O)c1ccccc1 |