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1H-Pyrrole-3-carbonitrile, 4-[(5-chloro-2-pyridinyl)amino]-4,5-dihydro-2-methyl-5-oxo-4-(trifluoromethyl)-
SpectraBase Compound ID 7Hkxt6CDhe4
InChI InChI=1S/C12H8ClF3N4O/c1-6-8(4-17)11(10(21)19-6,12(14,15)16)20-9-3-2-7(13)5-18-9/h2-3,5H,1H3,(H,18,20)(H,19,21)
InChIKey BMUWLHZLNFHEBV-UHFFFAOYSA-N
Mol Weight 316.67 g/mol
Molecular Formula C12H8ClF3N4O
Exact Mass 316.033873 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6aQmWXHxGnG
Name 4-[(5-chloro-2-pyridinyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carbonitrile
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/C12H8ClF3N4O/c1-6-8(4-17)11(10(21)19-6,12(14,15)16)20-9-3-2-7(13)5-18-9/h2-3,5H,1H3,(H,18,20)(H,19,21)
InChIKey BMUWLHZLNFHEBV-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20836
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: D50004; Labnumber: SOK-1890; SBI_ID: SBI-020840
Temperature 315 °C