| SpectraBase Compound ID | HIOeofvh6AV |
|---|---|
| InChI | InChI=1S/C19H25NO4/c1-13(21)23-12-18(14-6-4-3-5-7-14)19(22)24-17-10-15-8-9-16(11-17)20(15)2/h3-7,15-18H,8-12H2,1-2H3/t15-,16+,17?,18? |
| InChIKey | FFTQFHULPHYOIS-OQSMONGASA-N |
| Mol Weight | 331.41 g/mol |
| Molecular Formula | C19H25NO4 |
| Exact Mass | 331.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AYfTEh57Yuz |
|---|---|
| Name | Atropine ac @P1102 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.178358285 u |
| Formula | C19H25NO4 |
| InChI | InChI=1S/C19H25NO4/c1-13(21)23-12-18(14-6-4-3-5-7-14)19(22)24-17-10-15-8-9-16(11-17)20(15)2/h3-7,15-18H,8-12H2,1-2H3/t15-,16+,17?,18? |
| InChIKey | FFTQFHULPHYOIS-OQSMONGASA-N |
| Molecular Weight | 331.412 g/mol |
| SMILES | CC(OCC(C1=CC=CC=C1)C(=O)OC1C[C@@]2(N([C@](C1)(CC2)[H])C)[H])=O |