| SpectraBase Compound ID | A68WviMacQr |
|---|---|
| InChI | InChI=1S/C26H47NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-30-26(29)24-19-21-27(22-20-24)25(28)4-2/h4,24H,2-3,5-23H2,1H3 |
| InChIKey | HTQRXZBDFAHPIO-UHFFFAOYSA-N |
| Mol Weight | 421.7 g/mol |
| Molecular Formula | C26H47NO3 |
| Exact Mass | 421.355594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6b3niHZ7XFH |
|---|---|
| Name | Isonipecotic acid, N-acryloyl-, heptadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 421.355594374 u |
| Formula | C26H47NO3 |
| InChI | InChI=1S/C26H47NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-30-26(29)24-19-21-27(22-20-24)25(28)4-2/h4,24H,2-3,5-23H2,1H3 |
| InChIKey | HTQRXZBDFAHPIO-UHFFFAOYSA-N |
| Molecular Weight | 421.666 g/mol |
| SMILES | CCCCCCCCCCCCCCCCCOC(C1CCN(C(=O)C=C)CC1)=O |