| SpectraBase Spectrum ID |
IE8MbtHLvpx |
| Name |
Isonipecotic acid, N-allyloxycarbonyl-, pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.334858929 u |
| Formula |
C25H45NO4 |
| InChI |
InChI=1S/C25H45NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-22-29-24(27)23-17-19-26(20-18-23)25(28)30-21-4-2/h4,23H,2-3,5-22H2,1H3 |
| InChIKey |
MUUHOEMAJQVJTJ-UHFFFAOYSA-N |
| Molecular Weight |
423.638 g/mol |
| SMILES |
C=CCOC(N1CCC(C(OCCCCCCCCCCCCCCC)=O)CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.834279 |
