| SpectraBase Compound ID | 32pIpAOXDIO |
|---|---|
| InChI | InChI=1S/C18H21NO3/c1-12(14-6-4-3-5-7-14)18(21)22-17-10-15-8-9-16(11-17)19(15)13(2)20/h3-7,15-17H,1,8-11H2,2H3 |
| InChIKey | PHTYDHJIFIGMSQ-UHFFFAOYSA-N |
| Mol Weight | 299.37 g/mol |
| Molecular Formula | C18H21NO3 |
| Exact Mass | 299.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6FYIdHQaD8r |
|---|---|
| Name | N-Acetyl norapoatropine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.152143537 u |
| Formula | C18H21NO3 |
| InChI | InChI=1S/C18H21NO3/c1-12(14-6-4-3-5-7-14)18(21)22-17-10-15-8-9-16(11-17)19(15)13(2)20/h3-7,15-17H,1,8-11H2,2H3 |
| InChIKey | PHTYDHJIFIGMSQ-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC=C1)C(C(=O)OC1C[C@]2(CC[C@@](C1)(N2C(=O)C)[H])[H])=C |