| SpectraBase Spectrum ID |
DB3nMtyddl1 |
| Name |
Isonipecotic acid, N-(3-cyclopentylpropionyl)-, octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
365.292994117 u |
| Formula |
C22H39NO3 |
| InChI |
InChI=1S/C22H39NO3/c1-2-3-4-5-6-9-18-26-22(25)20-14-16-23(17-15-20)21(24)13-12-19-10-7-8-11-19/h19-20H,2-18H2,1H3 |
| InChIKey |
MDZAEAVBSQDCTF-UHFFFAOYSA-N |
| Molecular Weight |
365.558 g/mol |
| SMILES |
CCCCCCCCOC(C1CCN(C(=O)CCC2CCCC2)CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927145 |
