| SpectraBase Spectrum ID |
Hlt7Wna6iJT |
| Name |
Isonipecotic acid, N-(cyclohexylcarbonyl)-, heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
337.261693988 u |
| Formula |
C20H35NO3 |
| InChI |
InChI=1S/C20H35NO3/c1-2-3-4-5-9-16-24-20(23)18-12-14-21(15-13-18)19(22)17-10-7-6-8-11-17/h17-18H,2-16H2,1H3 |
| InChIKey |
QGKXCWWQJQXZKL-UHFFFAOYSA-N |
| Molecular Weight |
337.504 g/mol |
| SMILES |
CCCCCCCOC(C1CCN(C(=O)C2CCCCC2)CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888848 |
