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1-(3-methylphenyl)-3-{4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}-2,5-pyrrolidinedione
SpectraBase Compound ID KhezyrjjOiL
InChI InChI=1S/C22H21F3N4O4/c1-14-3-2-4-16(11-14)28-20(30)13-19(21(28)31)27-9-7-26(8-10-27)17-6-5-15(22(23,24)25)12-18(17)29(32)33/h2-6,11-12,19H,7-10,13H2,1H3
InChIKey VYTMJNVQMXNQCM-UHFFFAOYSA-N
Mol Weight 462.43 g/mol
Molecular Formula C22H21F3N4O4
Exact Mass 462.15149 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3ToZHG6tGrB
Name 1-(3-methylphenyl)-3-{4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}-2,5-pyrrolidinedione
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/C22H21F3N4O4/c1-14-3-2-4-16(11-14)28-20(30)13-19(21(28)31)27-9-7-26(8-10-27)17-6-5-15(22(23,24)25)12-18(17)29(32)33/h2-6,11-12,19H,7-10,13H2,1H3
InChIKey VYTMJNVQMXNQCM-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18888
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: D11836; Labnumber: MPOL-15886; SBI_ID: SBI-018891
Temperature 308 °C