SpectraBase Spectrum ID |
LpZYRKLriOi |
Name |
(Z)-4-[Phenyl(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 |
213.115364106 u |
Formula |
C14H15NO |
InChI |
InChI=1S/C14H15NO/c1-4-10-15(12(2)11-13(3)16)14-8-6-5-7-9-14/h5-9,11H,1-3H3/b12-11- |
InChIKey |
PFSAMHVLGSQXLB-QXMHVHEDSA-N |
Molecular Weight |
213.280 g/mol |
SMILES |
C(\C=C\(N(C#CC)C=1C=CC=CC1)C)(=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93603 |