| SpectraBase Spectrum ID |
6X9P68qctE9 |
| Name |
N-(4-Methoxyphenyl)-N-{[(2-thiophen-2-yl)ethyl]-PIPERIDIN1-yl}heptafluorobutanamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
512.136846302 u |
| Formula |
C22H23F7N2O2S |
| InChI |
InChI=1S/C22H23F7N2O2S/c1-33-17-6-4-15(5-7-17)31(19(32)20(23,24)21(25,26)22(27,28)29)16-8-11-30(12-9-16)13-10-18-3-2-14-34-18/h2-7,14,16H,8-13H2,1H3 |
| InChIKey |
MUMHJXGSGAWHRN-UHFFFAOYSA-N |
| Molecular Weight |
512.487 g/mol |
| SMILES |
C(C(C(N(C1CCN(CC1)CCC=1SC=CC1)C=1C=CC(=CC1)OC)=O)(F)F)(C(F)(F)F)(F)F |
![N-(4-Methoxyphenyl)-N-{[(2-thiophen-2-yl)ethyl]-PIPERIDIN1-yl}heptafluorobutanamide](/api/spectrum/6X9P68qctE9/structure.png?h=300&w=458 "N-(4-Methoxyphenyl)-N-{[(2-thiophen-2-yl)ethyl]-PIPERIDIN1-yl}heptafluorobutanamide")
