| SpectraBase Spectrum ID |
BhE3ehp3k08 |
| Name |
2-Butanone, 1-phenyl-3-(1-piperidinyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
231.162314299 u |
| Formula |
C15H21NO |
| InChI |
InChI=1S/C15H21NO/c1-13(16-10-6-3-7-11-16)15(17)12-14-8-4-2-5-9-14/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3 |
| InChIKey |
MQGCAWNLRXZZDE-UHFFFAOYSA-N |
| Molecular Weight |
231.339 g/mol |
| SMILES |
C(C(N1CCCCC1)C)(CC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965805 |
