| SpectraBase Spectrum ID |
CXsPxqyNDEA |
| Name |
Isopropyl 2-methyl-2-nitro-3-(piperidin-1-yl)propanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.157957192 u |
| Formula |
C12H22N2O4 |
| InChI |
InChI=1S/C12H22N2O4/c1-10(2)18-11(15)12(3,14(16)17)9-13-7-5-4-6-8-13/h10H,4-9H2,1-3H3 |
| InChIKey |
OGTCDBVLQYMNOL-UHFFFAOYSA-N |
| SMILES |
C(N1CCCCC1)C(C(OC(C)C)=O)([N+](=O)[O-])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.818957 |
