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tert-Butyl-4-[(3-fluorophenyl)(furan-3-carbonyl)amino]piperidine-1-carboxylate
SpectraBase Compound ID CjUWWh65m7Y
InChI InChI=1S/C21H25FN2O4/c1-21(2,3)28-20(26)23-10-7-17(8-11-23)24(18-6-4-5-16(22)13-18)19(25)15-9-12-27-14-15/h4-6,9,12-14,17H,7-8,10-11H2,1-3H3
InChIKey YQUDWMDBJSLOHJ-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 GVtEkk7ALz6
Name tert-Butyl-4-[(3-fluorophenyl)(furan-3-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)23-10-7-17(8-11-23)24(18-6-4-5-16(22)13-18)19(25)15-9-12-27-14-15/h4-6,9,12-14,17H,7-8,10-11H2,1-3H3
InChIKey YQUDWMDBJSLOHJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 388.439 g/mol
Nominal Mass 388 u
Quality 993
Retention Index 2730
SMILES C1(N(C(C=2C=COC2)=O)C2=CC(=CC=C2)F)CCN(C(OC(C)(C)C)=O)CC1
SPLASH splash10-054p-9310000000-0c9f4532b02eae7fde7f
Sample Comments Structure uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Wiley ID DD2024_028990