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1-Adamantyl-[2-(2-fluorobenzyl)oxy-3-methoxy-benzyl]amine

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

1-Adamantyl-[2-(2-fluorobenzyl)oxy-3-methoxy-benzyl]amine
SpectraBase Compound ID 43Ebu0sEdnl
InChI InChI=1S/C25H30FNO2/c1-28-23-8-4-6-20(24(23)29-16-21-5-2-3-7-22(21)26)15-27-25-12-17-9-18(13-25)11-19(10-17)14-25/h2-8,17-19,27H,9-16H2,1H3
InChIKey XHUOVHUTIIWKRG-UHFFFAOYSA-N
Mol Weight 395.52 g/mol
Molecular Formula C25H30FNO2
Exact Mass 395.226057 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2fu4Z63Z0Mz
Name 1-Adamantyl-[2-(2-fluorobenzyl)oxy-3-methoxy-benzyl]amine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.226057371 u
Formula C25H30FNO2
InChI InChI=1S/C25H30FNO2/c1-28-23-8-4-6-20(24(23)29-16-21-5-2-3-7-22(21)26)15-27-25-12-17-9-18(13-25)11-19(10-17)14-25/h2-8,17-19,27H,9-16H2,1H3
InChIKey XHUOVHUTIIWKRG-UHFFFAOYSA-N
Molecular Weight 395.518 g/mol
SMILES C12(NCC3=C(OCC4=C(F)C=CC=C4)C(OC)=CC=C3)CC3CC(C1)CC(C2)C3