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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: 1 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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6HkVc42dSfd
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
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
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
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20544
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/9185135; UBI_ID: UBI-020548
Temperature 313 °C