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N,N-bis-(2-Fluorobenzyl)bdb

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

N,N-bis-(2-Fluorobenzyl)bdb
SpectraBase Compound ID 3jgmC2P5Sva
InChI InChI=1S/C25H23F2NO3/c1-2-22(25(29)17-11-12-23-24(13-17)31-16-30-23)28(14-18-7-3-5-9-20(18)26)15-19-8-4-6-10-21(19)27/h3-13,22H,2,14-16H2,1H3
InChIKey BGEJIHHHYWPGST-UHFFFAOYSA-N
Mol Weight 423.46 g/mol
Molecular Formula C25H23F2NO3
Exact Mass 423.1646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HTUpHr804AR
Name N,N-bis-(2-Fluorobenzyl)bdb
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 423.164599928 u
Formula C25H23F2NO3
InChI InChI=1S/C25H23F2NO3/c1-2-22(25(29)17-11-12-23-24(13-17)31-16-30-23)28(14-18-7-3-5-9-20(18)26)15-19-8-4-6-10-21(19)27/h3-13,22H,2,14-16H2,1H3
InChIKey BGEJIHHHYWPGST-UHFFFAOYSA-N
Molecular Weight 423.460 g/mol
SMILES C(N(CC1=C(C=CC=C1)F)CC=1C(=CC=CC1)F)(C(C=1C=C2C(=CC1)OCO2)=O)CC