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tert-Butyl-4-[(2-fluorophenyl)(thiophene-2-carbonyl)amino]piperidine-1-carboxylate
SpectraBase Compound ID 92ye93wjfUB
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
Mol Weight 404.5 g/mol
Molecular Formula C21H25FN2O3S
Exact Mass 404.156992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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