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2-propenenitrile, 3-[[(2-chlorophenyl)methyl]thio]-3-[(2-fluorophenyl)amino]-2-(phenylsulfonyl)-, (2E)-
SpectraBase Compound ID 6ooa6UbxQP9
InChI InChI=1S/C22H16ClFN2O2S2/c23-18-11-5-4-8-16(18)15-29-22(26-20-13-7-6-12-19(20)24)21(14-25)30(27,28)17-9-2-1-3-10-17/h1-13,26H,15H2/b22-21+
InChIKey CNEKQSMQRSDLMC-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 IYiICDZdWrJ
Name 2-propenenitrile, 3-[[(2-chlorophenyl)methyl]thio]-3-[(2-fluorophenyl)amino]-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/c23-18-11-5-4-8-16(18)15-29-22(26-20-13-7-6-12-19(20)24)21(14-25)30(27,28)17-9-2-1-3-10-17/h1-13,26H,15H2/b22-21+
InChIKey CNEKQSMQRSDLMC-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_4087
Solvent DMSO-d6
Source Vendor ID: NMR/13279582