| SpectraBase Spectrum ID |
ERMP0eytXqy |
| Name |
Isonipecotic acid, N-allyloxycarbonyl-, hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
437.350508993 u |
| Formula |
C26H47NO4 |
| InChI |
InChI=1S/C26H47NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-23-30-25(28)24-18-20-27(21-19-24)26(29)31-22-4-2/h4,24H,2-3,5-23H2,1H3 |
| InChIKey |
FFYIQEUJCJNDDL-UHFFFAOYSA-N |
| Molecular Weight |
437.665 g/mol |
| SMILES |
C=CCOC(N1CCC(C(OCCCCCCCCCCCCCCCC)=O)CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880114 |
