| SpectraBase Spectrum ID |
3DE0SsOsJ1k |
| Name |
1-(3-Methoxyphenyl)-2-(piperidin-1-yl)pentan-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
275.188529047 u |
| Formula |
C17H25NO2 |
| InChI |
InChI=1S/C17H25NO2/c1-3-8-16(18-11-5-4-6-12-18)17(19)14-9-7-10-15(13-14)20-2/h7,9-10,13,16H,3-6,8,11-12H2,1-2H3 |
| InChIKey |
VUSAIRLOGOZIHP-UHFFFAOYSA-N |
| Molecular Weight |
275.392 g/mol |
| SMILES |
C1(OC)=CC=CC(=C1)C(C(N1CCCCC1)CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827818 |
