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Tert-butyl-4-[(4-fluorophenyl)(thiophene-2-carbonyl)amino]piperidine-1-carboxylate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Tert-butyl-4-[(4-fluorophenyl)(thiophene-2-carbonyl)amino]piperidine-1-carboxylate
SpectraBase Compound ID 2ibsTc12KdF
InChI InChI=1S/C21H25FN2O3S/c1-21(2,3)27-20(26)23-12-10-17(11-13-23)24(16-8-6-15(22)7-9-16)19(25)18-5-4-14-28-18/h4-9,14,17H,10-13H2,1-3H3
InChIKey NWBGDZVBZBXJRE-UHFFFAOYSA-N
Mol Weight 404.5 g/mol
Molecular Formula C21H25FN2O3S
Exact Mass 404.156992 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7sYmMy7C88k
Name Tert-butyl-4-[(4-fluorophenyl)(thiophene-2-carbonyl)amino]piperidine-1-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.156992007 u
Formula C21H25FN2O3S
InChI InChI=1S/C21H25FN2O3S/c1-21(2,3)27-20(26)23-12-10-17(11-13-23)24(16-8-6-15(22)7-9-16)19(25)18-5-4-14-28-18/h4-9,14,17H,10-13H2,1-3H3
InChIKey NWBGDZVBZBXJRE-UHFFFAOYSA-N
Molecular Weight 404.500 g/mol
SMILES C1(N(C(C=2SC=CC2)=O)C2=CC=C(C=C2)F)CCN(C(OC(C)(C)C)=O)CC1