| SpectraBase Spectrum ID |
KKeSXERlLCO |
| Name |
1-(3-Methylphenyl)-2-piperidino-hexan-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
273.209264492 u |
| Formula |
C18H27NO |
| InChI |
InChI=1S/C18H27NO/c1-3-4-11-17(19-12-6-5-7-13-19)18(20)16-10-8-9-15(2)14-16/h8-10,14,17H,3-7,11-13H2,1-2H3 |
| InChIKey |
HDUQEDFZXWGEGN-UHFFFAOYSA-N |
| Molecular Weight |
273.420 g/mol |
| SMILES |
C(C(C=1C=C(C=CC1)C)=O)(N1CCCCC1)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892565 |
