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Benzenethanamine, 3,4-dibenzyloxy-2-fluoro-N-formyl-.beta.-hydroxy-
SpectraBase Compound ID Fl4bQ8FcQ0C
InChI InChI=1S/C23H22FNO4/c24-22-19(20(27)13-25-16-26)11-12-21(28-14-17-7-3-1-4-8-17)23(22)29-15-18-9-5-2-6-10-18/h1-12,16,20,27H,13-15H2,(H,25,26)
InChIKey HNYLLTDVOGWSHD-UHFFFAOYSA-N
Mol Weight 395.43 g/mol
Molecular Formula C23H22FNO4
Exact Mass 395.153286 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8mlaNXRroNA
Name Benzenethanamine, 3,4-dibenzyloxy-2-fluoro-N-formyl-.beta.-hydroxy-
Comments Computed using HOSE algorithm
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Exact Mass 395.153286351 u
Formula C23H22FNO4
InChI InChI=1S/C23H22FNO4/c24-22-19(20(27)13-25-16-26)11-12-21(28-14-17-7-3-1-4-8-17)23(22)29-15-18-9-5-2-6-10-18/h1-12,16,20,27H,13-15H2,(H,25,26)
InChIKey HNYLLTDVOGWSHD-UHFFFAOYSA-N
Molecular Weight 395.430 g/mol
SMILES C1=C(C(=C(C(=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)F)C(O)CNC=O