SpectraBase Spectrum ID |
F8IGzK4Dw08 |
Name |
tert-Butyl-4-[(2-fluorophenyl)(thiophene-2-carbonyl)amino]piperidine-1-carboxylate |
Classification |
Chemical |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
404.156992007 u |
Formula |
C21H25FN2O3S |
InChI |
InChI=1S/C21H25FN2O3S/c1-21(2,3)27-20(26)23-12-10-15(11-13-23)24(17-8-5-4-7-16(17)22)19(25)18-9-6-14-28-18/h4-9,14-15H,10-13H2,1-3H3 |
InChIKey |
LUASDKVLZMTRJT-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
404.500 g/mol |
Nominal Mass |
404 u |
Quality |
996 |
Retention Index |
2963 |
SMILES |
C=1(N(C2CCN(C(OC(C)(C)C)=O)CC2)C(C=2SC=CC2)=O)C(=CC=CC1)F |
SPLASH |
splash10-0006-9520000000-3f4e8f249181bf3b0646 |
Sample Comments |
Structure uncertain |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Technique |
GC/MS |
Wiley ID |
DD2024_028998 |