| SpectraBase Compound ID | BhwBpppvDFk |
|---|---|
| InChI | InChI=1S/C25H45NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-29-25(28)23-18-20-26(21-19-23)24(27)4-2/h4,23H,2-3,5-22H2,1H3 |
| InChIKey | QJMQPLLROULEBC-UHFFFAOYSA-N |
| Mol Weight | 407.6 g/mol |
| Molecular Formula | C25H45NO3 |
| Exact Mass | 407.339944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2YrcUpEl4jL |
|---|---|
| Name | Isonipecotic acid, N-acryloyl-, hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 407.339944310 u |
| Formula | C25H45NO3 |
| InChI | InChI=1S/C25H45NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-29-25(28)23-18-20-26(21-19-23)24(27)4-2/h4,23H,2-3,5-22H2,1H3 |
| InChIKey | QJMQPLLROULEBC-UHFFFAOYSA-N |
| Molecular Weight | 407.639 g/mol |
| SMILES | CCCCCCCCCCCCCCCCOC(C1CCN(C(=O)C=C)CC1)=O |