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N-[2-chloranyl-5-(trifluoromethyl)phenyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SpectraBase Compound ID 2x2q64XkQL
InChI InChI=1S/C20H16ClF6N3O3/c21-14-3-1-12(19(22,23)24)9-15(14)28-18(31)11-5-7-29(8-6-11)16-4-2-13(20(25,26)27)10-17(16)30(32)33/h1-4,9-11H,5-8H2,(H,28,31)
InChIKey GKHAGGSGQZUMBB-UHFFFAOYSA-N
Mol Weight 495.81 g/mol
Molecular Formula C20H16ClF6N3O3
Exact Mass 495.078438 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4MAaFJ0DxaF
Name 4-piperidinecarboxamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 495.078438062 u
Formula C20H16ClF6N3O3
InChI InChI=1S/C20H16ClF6N3O3/c21-14-3-1-12(19(22,23)24)9-15(14)28-18(31)11-5-7-29(8-6-11)16-4-2-13(20(25,26)27)10-17(16)30(32)33/h1-4,9-11H,5-8H2,(H,28,31)
InChIKey GKHAGGSGQZUMBB-UHFFFAOYSA-N
Molecular Weight 495.809 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4806
Solvent DMSO-d6
Source Vendor ID: NMR/9273227; Lab Info: LP; Lab Number: LP-1401767
Temperature 29.85 °C