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tert-Butyl-4-[(4-fluorophenyl)(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxylate
SpectraBase Compound ID CJMqdxshd3E
InChI InChI=1S/C22H27FN2O4/c1-15-5-10-19(28-15)20(26)25(17-8-6-16(23)7-9-17)18-11-13-24(14-12-18)21(27)29-22(2,3)4/h5-10,18H,11-14H2,1-4H3
InChIKey CLAPTPFTOKQPFO-UHFFFAOYSA-N
Mol Weight 402.47 g/mol
Molecular Formula C22H27FN2O4
Exact Mass 402.195486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FwJY0IZOJj
Name tert-Butyl-4-[(4-fluorophenyl)(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxylate
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 402.195485516 u
Formula C22H27FN2O4
InChI InChI=1S/C22H27FN2O4/c1-15-5-10-19(28-15)20(26)25(17-8-6-16(23)7-9-17)18-11-13-24(14-12-18)21(27)29-22(2,3)4/h5-10,18H,11-14H2,1-4H3
InChIKey CLAPTPFTOKQPFO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 402.466 g/mol
Nominal Mass 402 u
Quality 999
Retention Index 2815
SMILES C1(N(C(C=2OC(=CC2)C)=O)C=2C=CC(=CC2)F)CCN(C(OC(C)(C)C)=O)CC1
SPLASH splash10-0pbc-9820100000-7ac58f9906d0270f3a65
Sample Comments Structure uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Wiley ID DD2024_028985