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2-propenenitrile, 3-[(3-chlorophenyl)amino]-3-[[(4-fluorophenyl)methyl]thio]-2-(phenylsulfonyl)-, (2E)-
SpectraBase Compound ID 2FsdfrWatK1
InChI InChI=1S/C22H16ClFN2O2S2/c23-17-5-4-6-19(13-17)26-22(29-15-16-9-11-18(24)12-10-16)21(14-25)30(27,28)20-7-2-1-3-8-20/h1-13,26H,15H2/b22-21+
InChIKey IOWKENUSFSPHAU-QURGRASLSA-N
Mol Weight 458.95 g/mol
Molecular Formula C22H16ClFN2O2S2
Exact Mass 458.032576 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DKbJRZuq50v
Name 2-propenenitrile, 3-[(3-chlorophenyl)amino]-3-[[(4-fluorophenyl)methyl]thio]-2-(phenylsulfonyl)-, (2E)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.032575972 u
Formula C22H16ClFN2O2S2
InChI InChI=1S/C22H16ClFN2O2S2/c23-17-5-4-6-19(13-17)26-22(29-15-16-9-11-18(24)12-10-16)21(14-25)30(27,28)20-7-2-1-3-8-20/h1-13,26H,15H2/b22-21+
InChIKey IOWKENUSFSPHAU-QURGRASLSA-N
Molecular Weight 458.953 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_4103
Solvent DMSO-d6
Source Vendor ID: NMR/13279600