| SpectraBase Spectrum ID |
LMIa4Lol5rp |
| Name |
1-(4-Methoxyphenyl)-2-(piperidin-1-yl)butan-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.172878983 u |
| Formula |
C16H23NO2 |
| InChI |
InChI=1S/C16H23NO2/c1-3-15(17-11-5-4-6-12-17)16(18)13-7-9-14(19-2)10-8-13/h7-10,15H,3-6,11-12H2,1-2H3 |
| InChIKey |
IGBQMRMVFKRXLC-UHFFFAOYSA-N |
| Molecular Weight |
261.365 g/mol |
| SMILES |
C1=C(OC)C=CC(=C1)C(C(N1CCCCC1)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9711 |
