SpectraBase Spectrum ID |
zT8ssASN8M |
Name |
Piperidine, 2,6-dimethyl-1-phenpropioloyl- |
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/c1-13-7-6-8-14(2)17(13)16(18)12-11-15-9-4-3-5-10-15/h3-5,9-10,13-14H,6-8H2,1-2H3 |
InChIKey |
WOKXFDIKBKIVTQ-UHFFFAOYSA-N |
Molecular Weight |
241.334 g/mol |
SMILES |
C1=C(C=CC=C1)C#CC(=O)N1C(CCCC1C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.800358 |