| SpectraBase Compound ID | BoQHJPYQ0Az |
|---|---|
| InChI | InChI=1S/C18H31NO3/c1-3-5-6-7-8-9-10-15-22-18(21)16-11-13-19(14-12-16)17(20)4-2/h4,16H,2-3,5-15H2,1H3 |
| InChIKey | YAMVWKFEAYGPQH-UHFFFAOYSA-N |
| Mol Weight | 309.45 g/mol |
| Molecular Formula | C18H31NO3 |
| Exact Mass | 309.230394 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 29ui6lx84Qd |
|---|---|
| Name | Isonipecotic acid, N-acryloyl-, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.230393859 u |
| Formula | C18H31NO3 |
| InChI | InChI=1S/C18H31NO3/c1-3-5-6-7-8-9-10-15-22-18(21)16-11-13-19(14-12-16)17(20)4-2/h4,16H,2-3,5-15H2,1H3 |
| InChIKey | YAMVWKFEAYGPQH-UHFFFAOYSA-N |
| Molecular Weight | 309.450 g/mol |
| SMILES | CCCCCCCCCOC(C1CCN(C(=O)C=C)CC1)=O |