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3-pyrrolidinecarboxamide, 1-(4-bromophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-
SpectraBase Compound ID f9A6OwIuHC
InChI InChI=1S/C18H13BrClF3N2O2/c19-12-2-4-13(5-3-12)25-9-10(7-16(25)26)17(27)24-15-8-11(18(21,22)23)1-6-14(15)20/h1-6,8,10H,7,9H2,(H,24,27)
InChIKey KRGOHVRXYJNYDW-UHFFFAOYSA-N
Mol Weight 461.67 g/mol
Molecular Formula C18H13BrClF3N2O2
Exact Mass 459.980103 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3uuDqLtlZpo
Name 3-pyrrolidinecarboxamide, 1-(4-bromophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-
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/C18H13BrClF3N2O2/c19-12-2-4-13(5-3-12)25-9-10(7-16(25)26)17(27)24-15-8-11(18(21,22)23)1-6-14(15)20/h1-6,8,10H,7,9H2,(H,24,27)
InChIKey KRGOHVRXYJNYDW-UHFFFAOYSA-N
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Origin 1H_ASIOH_8516_3708
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: ZI/6053906; Labnumber: LP-02/452; IOH_ID: IOH-010711