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Benzeneethanamine, 3,4-dibenzyloxy-2-fluoro-.beta.-hydroxy-N-isopropyl-

View entire compound with spectra: 1 NMR, and 1 FTIR

Benzeneethanamine, 3,4-dibenzyloxy-2-fluoro-.beta.-hydroxy-N-isopropyl-
SpectraBase Compound ID 4V4blh4ML0R
InChI InChI=1S/C25H28FNO3/c1-18(2)27-15-22(28)21-13-14-23(29-16-19-9-5-3-6-10-19)25(24(21)26)30-17-20-11-7-4-8-12-20/h3-14,18,22,27-28H,15-17H2,1-2H3
InChIKey WSXMUCUEOOAQDG-UHFFFAOYSA-N
Mol Weight 409.5 g/mol
Molecular Formula C25H28FNO3
Exact Mass 409.205322 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DesW3fQTfSp
Name Benzeneethanamine, 3,4-dibenzyloxy-2-fluoro-.beta.-hydroxy-N-isopropyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.205321926 u
Formula C25H28FNO3
InChI InChI=1S/C25H28FNO3/c1-18(2)27-15-22(28)21-13-14-23(29-16-19-9-5-3-6-10-19)25(24(21)26)30-17-20-11-7-4-8-12-20/h3-14,18,22,27-28H,15-17H2,1-2H3
InChIKey WSXMUCUEOOAQDG-UHFFFAOYSA-N
Molecular Weight 409.501 g/mol
SMILES C1=C(C(=C(C(=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)F)C(O)CNC(C)C