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3-[4-(1-adamantyl)-1-piperazinyl]-1-[4-[chloro(difluoro)methoxy]phenyl]pyrrolidine-2,5-dione
SpectraBase Compound ID 4fp62Z4OQHQ
InChI InChI=1S/C25H30ClF2N3O3/c26-25(27,28)34-20-3-1-19(2-4-20)31-22(32)12-21(23(31)33)29-5-7-30(8-6-29)24-13-16-9-17(14-24)11-18(10-16)15-24/h1-4,16-18,21H,5-15H2/t16-,17+,18-,21?,24-
InChIKey DNPKIZHYZNGQIO-PMXPDCCXSA-N
Mol Weight 493.98 g/mol
Molecular Formula C25H30ClF2N3O3
Exact Mass 493.194376 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JLUa0F6DYgj
Name 2,5-pyrrolidinedione, 1-[4-(chlorodifluoromethoxy)phenyl]-3-(4-tricyclo[3.3.1.1~3,7~]dec-1-yl-1-piperazinyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 493.194375861 u
Formula C25H30ClF2N3O3
InChI InChI=1S/C25H30ClF2N3O3/c26-25(27,28)34-20-3-1-19(2-4-20)31-22(32)12-21(23(31)33)29-5-7-30(8-6-29)24-13-16-9-17(14-24)11-18(10-16)15-24/h1-4,16-18,21H,5-15H2/t16-,17+,18-,21?,24-
InChIKey DNPKIZHYZNGQIO-PMXPDCCXSA-N
Molecular Weight 493.983 g/mol
NMR Offset 17.989
NMR Spectrometer Frequency 500.132
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15390
Solvent CDCl3
Source Vendor ID: NMR/11230014; Lab Info: PE; Lab Number: PE-0103013