| SpectraBase Compound ID | H1Gk6s8oXUa |
|---|---|
| InChI | InChI=1S/C19H27NO3/c1-13(2)20-15-8-9-16(20)11-17(10-15)23-19(22)18(12-21)14-6-4-3-5-7-14/h3-7,13,15-18,21H,8-12H2,1-2H3/t15-,16+,17+,18? |
| InChIKey | VORSMCHHJRVORT-KCUXLOIUSA-N |
| Mol Weight | 317.43 g/mol |
| Molecular Formula | C19H27NO3 |
| Exact Mass | 317.199094 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EcXXdpgX1aZ |
|---|---|
| Name | Ipratropium |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.199093730 u |
| Formula | C19H27NO3 |
| InChI | InChI=1S/C19H27NO3/c1-13(2)20-15-8-9-16(20)11-17(10-15)23-19(22)18(12-21)14-6-4-3-5-7-14/h3-7,13,15-18,21H,8-12H2,1-2H3/t15-,16+,17+,18? |
| InChIKey | VORSMCHHJRVORT-KCUXLOIUSA-N |
| Molecular Weight | 317.429 g/mol |
| SMILES | OCC(C(O[C@]1(C[C@@]2(CC[C@](C1)(N2C(C)C)[H])[H])[H])=O)c1ccccc1 |