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tert-Butyl-4-[(2-fluorophenyl)(furan-3-carbonyl)amino]piperidine-1-carboxylate
SpectraBase Compound ID 9idUkD2wxCi
InChI InChI=1S/C21H25FN2O4/c1-21(2,3)28-20(26)23-11-8-16(9-12-23)24(18-7-5-4-6-17(18)22)19(25)15-10-13-27-14-15/h4-7,10,13-14,16H,8-9,11-12H2,1-3H3
InChIKey MYZRKHRFWLSASO-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 9A1pTrhAh2o
Name tert-Butyl-4-[(2-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)23-11-8-16(9-12-23)24(18-7-5-4-6-17(18)22)19(25)15-10-13-27-14-15/h4-7,10,13-14,16H,8-9,11-12H2,1-3H3
InChIKey MYZRKHRFWLSASO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 388.439 g/mol
Nominal Mass 388 u
Quality 992
Retention Index 2768
SMILES C=1(N(C2CCN(C(OC(C)(C)C)=O)CC2)C(C=2C=COC2)=O)C(=CC=CC1)F
SPLASH splash10-0a6v-9420000000-ff17eeb346162ff4291b
Sample Comments Structure uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Wiley ID DD2024_028996