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2-propenenitrile, 3-[(2,4-dimethylphenyl)amino]-3-[[(4-fluorophenyl)methyl]thio]-2-(phenylsulfonyl)-, (2E)-
SpectraBase Compound ID DFA4f0UiMTl
InChI InChI=1S/C24H21FN2O2S2/c1-17-8-13-22(18(2)14-17)27-24(30-16-19-9-11-20(25)12-10-19)23(15-26)31(28,29)21-6-4-3-5-7-21/h3-14,27H,16H2,1-2H3/b24-23+
InChIKey BUWKJEVVBYGBHQ-WCWDXBQESA-N
Mol Weight 452.56 g/mol
Molecular Formula C24H21FN2O2S2
Exact Mass 452.102848 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2WTLU2XzBga
Name 2-propenenitrile, 3-[(2,4-dimethylphenyl)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 452.102848433 u
Formula C24H21FN2O2S2
InChI InChI=1S/C24H21FN2O2S2/c1-17-8-13-22(18(2)14-17)27-24(30-16-19-9-11-20(25)12-10-19)23(15-26)31(28,29)21-6-4-3-5-7-21/h3-14,27H,16H2,1-2H3/b24-23+
InChIKey BUWKJEVVBYGBHQ-WCWDXBQESA-N
Molecular Weight 452.562 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_4406
Solvent DMSO-d6
Source Vendor ID: NMR/13288010