SpectraBase Spectrum ID |
K8bAQcOrIlQ |
Name |
4-Piperidinone, 2,3-dimethyl-1-(3-phenyl-2-propynyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
241.146664235 u |
Formula |
C16H19NO |
InChI |
InChI=1S/C16H19NO/c1-13-14(2)17(12-10-16(13)18)11-6-9-15-7-4-3-5-8-15/h3-5,7-8,13-14H,10-12H2,1-2H3 |
InChIKey |
JDZCKHMDNBZPDT-UHFFFAOYSA-N |
Molecular Weight |
241.334 g/mol |
SMILES |
C1CC(C(C(N1CC#CC1=CC=CC=C1)C)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807002 |