SpectraBase Spectrum ID |
3kAkAK0glpW |
Name |
(Z)-4-[Butyl(1-propynyl)amino]-3-penten-2-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
193.146664235 u |
Formula |
C12H19NO |
InChI |
InChI=1S/C12H19NO/c1-5-7-9-13(8-6-2)11(3)10-12(4)14/h10H,5,7,9H2,1-4H3/b11-10- |
InChIKey |
MVVWBRUUKQQWJN-KHPPLWFESA-N |
Molecular Weight |
193.290 g/mol |
SMILES |
C(N(\C(=C/C(=O)C)C)CCCC)#CC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951573 |