| SpectraBase Spectrum ID |
LEpye7KS3F3 |
| Name |
Isonipecotic acid, N-(octanoyl)-, undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
409.355594374 u |
| Formula |
C25H47NO3 |
| InChI |
InChI=1S/C25H47NO3/c1-3-5-7-9-10-11-12-14-16-22-29-25(28)23-18-20-26(21-19-23)24(27)17-15-13-8-6-4-2/h23H,3-22H2,1-2H3 |
| InChIKey |
YZEISMRKDDHYHJ-UHFFFAOYSA-N |
| Molecular Weight |
409.655 g/mol |
| SMILES |
C(CCCCCC(N1CCC(C(OCCCCCCCCCCC)=O)CC1)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972258 |
