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2-propenenitrile, 3-[[(2-chloro-6-fluorophenyl)methyl]thio]-3-[(3,5-dimethylphenyl)amino]-2-(phenylsulfonyl)-, (2E)-
SpectraBase Compound ID JAYkWZpmQ4E
InChI InChI=1S/C24H20ClFN2O2S2/c1-16-11-17(2)13-18(12-16)28-24(31-15-20-21(25)9-6-10-22(20)26)23(14-27)32(29,30)19-7-4-3-5-8-19/h3-13,28H,15H2,1-2H3/b24-23+
InChIKey UCBYYMKJBAMCQQ-WCWDXBQESA-N
Mol Weight 487.01 g/mol
Molecular Formula C24H20ClFN2O2S2
Exact Mass 486.063876 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8Tjera74JlL
Name 2-propenenitrile, 3-[[(2-chloro-6-fluorophenyl)methyl]thio]-3-[(3,5-dimethylphenyl)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 486.063876101 u
Formula C24H20ClFN2O2S2
InChI InChI=1S/C24H20ClFN2O2S2/c1-16-11-17(2)13-18(12-16)28-24(31-15-20-21(25)9-6-10-22(20)26)23(14-27)32(29,30)19-7-4-3-5-8-19/h3-13,28H,15H2,1-2H3/b24-23+
InChIKey UCBYYMKJBAMCQQ-WCWDXBQESA-N
Molecular Weight 487.007 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_4430
Solvent DMSO-d6
Source Vendor ID: NMR/13288040