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Desipramine PFP @

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Desipramine PFP @
SpectraBase Compound ID 60XNGiq8ird
InChI InChI=1S/C21H21F5N2O/c1-27(19(29)20(22,23)21(24,25)26)13-6-14-28-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)28/h2-5,7-10H,6,11-14H2,1H3
InChIKey RVVSHGNINMLCRY-UHFFFAOYSA-N
Mol Weight 412.4 g/mol
Molecular Formula C21H21F5N2O
Exact Mass 412.157404 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HRHHfuQoJ5V
Name Desipramine, N-pentafluoropropionyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.157404118 u
Formula C21H21F5N2O
InChI InChI=1S/C21H21F5N2O/c1-27(19(29)20(22,23)21(24,25)26)13-6-14-28-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)28/h2-5,7-10H,6,11-14H2,1H3
InChIKey RVVSHGNINMLCRY-UHFFFAOYSA-N
Molecular Weight 412.404 g/mol
SMILES C1=2N(C3=C(CCC2C=CC=C1)C=CC=C3)CCCN(C)C(C(C(F)(F)F)(F)F)=O