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tert-Butyl-4-[(4-fluorophenyl)(thiophene-3-carbonyl)amino]piperidine-1-carboxylate
SpectraBase Compound ID 334686lC9TE
InChI InChI=1S/C21H25FN2O3S/c1-21(2,3)27-20(26)23-11-8-18(9-12-23)24(17-6-4-16(22)5-7-17)19(25)15-10-13-28-14-15/h4-7,10,13-14,18H,8-9,11-12H2,1-3H3
InChIKey IRCYNDQLMHQBAF-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 2llrMeA2vAW
Name tert-Butyl-4-[(4-fluorophenyl)(thiophene-3-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)23-11-8-18(9-12-23)24(17-6-4-16(22)5-7-17)19(25)15-10-13-28-14-15/h4-7,10,13-14,18H,8-9,11-12H2,1-3H3
InChIKey IRCYNDQLMHQBAF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 404.500 g/mol
Nominal Mass 404 u
Quality 1000
Retention Index 2933
SMILES C1(N(C(C=2C=CSC2)=O)C2=CC=C(C=C2)F)CCN(C(OC(C)(C)C)=O)CC1
SPLASH splash10-0nou-8920100000-7538fcbc0406b0ffaf0c
Sample Comments Structure uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Wiley ID DD2024_028987