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2-propenenitrile, 3-[[(2-chloro-6-fluorophenyl)methyl]thio]-3-(phenylamino)-2-(phenylsulfonyl)-, (2E)-
SpectraBase Compound ID BR8aPkmqJjI
InChI InChI=1S/C22H16ClFN2O2S2/c23-19-12-7-13-20(24)18(19)15-29-22(26-16-8-3-1-4-9-16)21(14-25)30(27,28)17-10-5-2-6-11-17/h1-13,26H,15H2/b22-21+
InChIKey KQLKLOIPWDJTCO-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 15TmFUeP19M
Name 2-propenenitrile, 3-[[(2-chloro-6-fluorophenyl)methyl]thio]-3-(phenylamino)-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/c23-19-12-7-13-20(24)18(19)15-29-22(26-16-8-3-1-4-9-16)21(14-25)30(27,28)17-10-5-2-6-11-17/h1-13,26H,15H2/b22-21+
InChIKey KQLKLOIPWDJTCO-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_4092
Solvent DMSO-d6
Source Vendor ID: NMR/13279588