SpectraBase Spectrum ID |
I9DtabB6x3W |
Name |
1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl-thiophene-3-carboxylate |
Classification |
Chemical |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
333.119878223 u |
Formula |
C18H20FNO2S |
InChI |
InChI=1S/C18H20FNO2S/c19-16-3-1-14(2-4-16)5-9-20-10-6-17(7-11-20)22-18(21)15-8-12-23-13-15/h1-4,8,12-13,17H,5-7,9-11H2 |
InChIKey |
LALAIKOPCMIOIU-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
333.421 g/mol |
Nominal Mass |
333 u |
Quality |
1000 |
Retention Index |
2540 |
SMILES |
C=1(C(OC2CCN(CC2)CCC2=CC=C(C=C2)F)=O)C=CSC1 |
SPLASH |
splash10-0229-2790000000-9b5a71816628c89a4396 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Technique |
GC/MS |
Wiley ID |
DD2024_029385 |