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9-(3-{[4-(2-fluorophenyl)-1-piperazinyl]methyl}-4-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

View entire compound with spectra: 2 NMR

9-(3-{[4-(2-fluorophenyl)-1-piperazinyl]methyl}-4-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
SpectraBase Compound ID IRqHk2JmNCB
InChI InChI=1S/C35H41FN2O4/c1-34(2)17-26(39)32-29(19-34)42-30-20-35(3,4)18-27(40)33(30)31(32)22-10-11-28(41-5)23(16-22)21-37-12-14-38(15-13-37)25-9-7-6-8-24(25)36/h6-11,16,31H,12-15,17-21H2,1-5H3
InChIKey PYPAFKIDEFXUPY-UHFFFAOYSA-N
Mol Weight 572.7 g/mol
Molecular Formula C35H41FN2O4
Exact Mass 572.305036 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6XDarZEFBcf
Name 9-(3-{[4-(2-Fluorophenyl)-1-piperazinyl]methyl}-4-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 572.305035967 u
Formula C35H41FN2O4
InChI InChI=1S/C35H41FN2O4/c1-34(2)17-26(39)32-29(19-34)42-30-20-35(3,4)18-27(40)33(30)31(32)22-10-11-28(41-5)23(16-22)21-37-12-14-38(15-13-37)25-9-7-6-8-24(25)36/h6-11,16,31H,12-15,17-21H2,1-5H3
InChIKey PYPAFKIDEFXUPY-UHFFFAOYSA-N
Molecular Weight 572.721 g/mol
SMILES C1=2C(C=3C(CC(CC3OC2CC(CC1=O)(C)C)(C)C)=O)C=1C=C(CN2CCN(CC2)C2=C(F)C=CC=C2)C(=CC1)OC