| SpectraBase Spectrum ID |
D1SWYXUvn58 |
| Name |
Isonipecotic acid, N-(cyclohexylcarbonyl)-, isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
295.214743795 u |
| Formula |
C17H29NO3 |
| InChI |
InChI=1S/C17H29NO3/c1-13(2)12-21-17(20)15-8-10-18(11-9-15)16(19)14-6-4-3-5-7-14/h13-15H,3-12H2,1-2H3 |
| InChIKey |
MXYIEKAXGLJOIK-UHFFFAOYSA-N |
| SMILES |
CC(C)COC(C1CCN(C(=O)C2CCCCC2)CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.808131 |
