| SpectraBase Compound ID | ERb23IPgXuv |
|---|---|
| InChI | InChI=1S/C10H13NO2/c1-3-7-13-10(12)9-5-4-6-11(2)8-9/h1,5H,4,6-8H2,2H3 |
| InChIKey | SPHRJZBOFYIKMC-UHFFFAOYSA-N |
| Mol Weight | 179.22 g/mol |
| Molecular Formula | C10H13NO2 |
| Exact Mass | 179.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2KsARMYQD48 |
|---|---|
| Name | 1-Methyl-1,2,5,6-tetrahydropyridine-3-carboxylic acid, 2-propynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.094628661 u |
| Formula | C10H13NO2 |
| InChI | InChI=1S/C10H13NO2/c1-3-7-13-10(12)9-5-4-6-11(2)8-9/h1,5H,4,6-8H2,2H3 |
| InChIKey | SPHRJZBOFYIKMC-UHFFFAOYSA-N |
| Molecular Weight | 179.219 g/mol |
| SMILES | C1CC=C(CN1C)C(=O)OCC#C |