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1-(3,4,6-Trichloro-5-trifluoromethyl-pyridin-2-yl)-azepane
SpectraBase Compound ID C3kMLQ0c2Rt
InChI InChI=1S/C12H12Cl3F3N2/c13-8-7(12(16,17)18)10(15)19-11(9(8)14)20-5-3-1-2-4-6-20/h1-6H2
InChIKey UZCPNMULNTYUHV-UHFFFAOYSA-N
Mol Weight 347.6 g/mol
Molecular Formula C12H12Cl3F3N2
Exact Mass 346.001816 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EFSAntEM4lN
Name 1H-azepine, hexahydro-1-[3,4,6-trichloro-5-(trifluoromethyl)-2-pyridinyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.001815983 u
Formula C12H12Cl3F3N2
InChI InChI=1S/C12H12Cl3F3N2/c13-8-7(12(16,17)18)10(15)19-11(9(8)14)20-5-3-1-2-4-6-20/h1-6H2
InChIKey UZCPNMULNTYUHV-UHFFFAOYSA-N
Molecular Weight 347.596 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16692
Solvent DMSO-d6
Source Vendor ID: NMR/10301702; Lab Info: SIP; Lab Number: SIP-102