| SpectraBase Compound ID | Jpqy1Kou9Hs |
|---|---|
| InChI | InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1 |
| InChIKey | ALWKGYPQUAPLQC-UHFFFAOYSA-N |
| Mol Weight | 223.3 g/mol |
| Molecular Formula | C12H19N2O2 |
| Exact Mass | 223.144653 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KJ9CTTfBEDf |
|---|---|
| Name | Neostigmine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.144652858 u |
| Formula | C12H19N2O2 |
| InChI | InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1 |
| InChIKey | ALWKGYPQUAPLQC-UHFFFAOYSA-N |
| Molecular Weight | 223.296 g/mol |
| SMILES | C1=C(C=CC=C1OC(=O)N(C)C)[N+](C)(C)C |