| SpectraBase Spectrum ID |
IdhoKuQvktx |
| Name |
Isonipecotic acid, N-(octanoyl)-, decyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
395.339944310 u |
| Formula |
C24H45NO3 |
| InChI |
InChI=1S/C24H45NO3/c1-3-5-7-9-10-11-13-15-21-28-24(27)22-17-19-25(20-18-22)23(26)16-14-12-8-6-4-2/h22H,3-21H2,1-2H3 |
| InChIKey |
SSTLMYJUZNEALN-UHFFFAOYSA-N |
| Molecular Weight |
395.628 g/mol |
| SMILES |
CCCCCCCCCCOC(C1CCN(C(=O)CCCCCCC)CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980416 |
