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2-propenenitrile, 3-[(2-ethyl-6-methylphenyl)amino]-3-[[(4-fluorophenyl)methyl]thio]-2-(phenylsulfonyl)-, (2E)-
SpectraBase Compound ID IjZij9b7P00
InChI InChI=1S/C25H23FN2O2S2/c1-3-20-9-7-8-18(2)24(20)28-25(31-17-19-12-14-21(26)15-13-19)23(16-27)32(29,30)22-10-5-4-6-11-22/h4-15,28H,3,17H2,1-2H3/b25-23+
InChIKey DAYCJCPSQGNDLK-WJTDDFOZSA-N
Mol Weight 466.59 g/mol
Molecular Formula C25H23FN2O2S2
Exact Mass 466.118498 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7e0cLit2n7z
Name 2-propenenitrile, 3-[(2-ethyl-6-methylphenyl)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 466.118498498 u
Formula C25H23FN2O2S2
InChI InChI=1S/C25H23FN2O2S2/c1-3-20-9-7-8-18(2)24(20)28-25(31-17-19-12-14-21(26)15-13-19)23(16-27)32(29,30)22-10-5-4-6-11-22/h4-15,28H,3,17H2,1-2H3/b25-23+
InChIKey DAYCJCPSQGNDLK-WJTDDFOZSA-N
Molecular Weight 466.589 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_4444
Solvent DMSO-d6
Source Vendor ID: NMR/13288054