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4-[2-nitro-4-(trifluoromethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]-1-piperazinecarboxamide
SpectraBase Compound ID 7nX3Z6bLmJ
InChI InChI=1S/C19H16F6N4O3/c20-18(21,22)12-2-1-3-14(10-12)26-17(30)28-8-6-27(7-9-28)15-5-4-13(19(23,24)25)11-16(15)29(31)32/h1-5,10-11H,6-9H2,(H,26,30)
InChIKey VSTDZLWVOCFKPA-UHFFFAOYSA-N
Mol Weight 462.35 g/mol
Molecular Formula C19H16F6N4O3
Exact Mass 462.112659 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4cG1NHw6tFN
Name 1-piperazinecarboxamide, 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-[3-(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 462.112659366 u
Formula C19H16F6N4O3
InChI InChI=1S/C19H16F6N4O3/c20-18(21,22)12-2-1-3-14(10-12)26-17(30)28-8-6-27(7-9-28)15-5-4-13(19(23,24)25)11-16(15)29(31)32/h1-5,10-11H,6-9H2,(H,26,30)
InChIKey VSTDZLWVOCFKPA-UHFFFAOYSA-N
Molecular Weight 462.352 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17229
Solvent DMSO-d6
Source Vendor ID: NMR/10301724; Lab Info: SIP; Lab Number: SIP-124