| SpectraBase Spectrum ID |
EWxxQjgm29i |
| Name |
Isonipecotic acid, N-(3-methylbutyryl)-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
241.167793602 u |
| Formula |
C13H23NO3 |
| InChI |
InChI=1S/C13H23NO3/c1-4-17-13(16)11-5-7-14(8-6-11)12(15)9-10(2)3/h10-11H,4-9H2,1-3H3 |
| InChIKey |
LHMXIRVZMGWCLY-UHFFFAOYSA-N |
| Molecular Weight |
241.331 g/mol |
| SMILES |
CC(C)CC(N1CCC(C(OCC)=O)CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.81895 |
