SpectraBase Spectrum ID |
8o3wXIuE46P |
Name |
Acetamide, N-methyl-N-[4-[4-hydroxy-1-hexahydropyridyl]-2-butynyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
224.152477890 u |
Formula |
C12H20N2O2 |
InChI |
InChI=1S/C12H20N2O2/c1-11(15)13(2)7-3-4-8-14-9-5-12(16)6-10-14/h12,16H,5-10H2,1-2H3 |
InChIKey |
JOKFEGLRCYJIAV-UHFFFAOYSA-N |
Molecular Weight |
224.304 g/mol |
SMILES |
C1N(CCC(C1)O)CC#CCN(C(C)=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977908 |