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tert-Butyl-4-[(4-fluorophenyl)(furan-2-carbonyl)amino]piperidine-1-carboxylate
SpectraBase Compound ID CUSNwJrVkGc
InChI InChI=1S/C21H25FN2O4/c1-21(2,3)28-20(26)23-12-10-17(11-13-23)24(16-8-6-15(22)7-9-16)19(25)18-5-4-14-27-18/h4-9,14,17H,10-13H2,1-3H3
InChIKey OLDOFMCPDLPKNG-UHFFFAOYSA-N
Mol Weight 388.44 g/mol
Molecular Formula C21H25FN2O4
Exact Mass 388.179835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2pWc5AJd680
Name tert-Butyl-4-[(4-fluorophenyl)(furan-2-carbonyl)amino]piperidine-1-carboxylate
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 388.179835452 u
Formula C21H25FN2O4
InChI InChI=1S/C21H25FN2O4/c1-21(2,3)28-20(26)23-12-10-17(11-13-23)24(16-8-6-15(22)7-9-16)19(25)18-5-4-14-27-18/h4-9,14,17H,10-13H2,1-3H3
InChIKey OLDOFMCPDLPKNG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 388.439 g/mol
Nominal Mass 388 u
Quality 998
Retention Index 2735
SMILES C1(N(C(C=2OC=CC2)=O)C2=CC=C(C=C2)F)CCN(C(OC(C)(C)C)=O)CC1
SPLASH splash10-054p-9410000000-afcf8a0cf50cd6ce3e53
Sample Comments Structure uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Wiley ID DD2024_028983