| SpectraBase Spectrum ID |
BuZrWRtserQ |
| Name |
4-Penten-2-yn-1-one, 1-phenyl-5-(1-piperidinyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
239.131014170 u |
| Formula |
C16H17NO |
| InChI |
InChI=1S/C16H17NO/c18-16(15-9-3-1-4-10-15)11-5-8-14-17-12-6-2-7-13-17/h1,3-4,8-10,14H,2,6-7,12-13H2/b14-8+ |
| InChIKey |
JPICSFUATSMDMO-RIYZIHGNSA-N |
| Molecular Weight |
239.318 g/mol |
| SMILES |
C(#C\C=C\N1CCCCC1)C(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959169 |
