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2-propenenitrile, 3-[(3-chloro-2-methylphenyl)amino]-3-[[(4-fluorophenyl)methyl]thio]-2-(phenylsulfonyl)-, (2E)-
SpectraBase Compound ID Gs7cz6Uehvd
InChI InChI=1S/C23H18ClFN2O2S2/c1-16-20(24)8-5-9-21(16)27-23(30-15-17-10-12-18(25)13-11-17)22(14-26)31(28,29)19-6-3-2-4-7-19/h2-13,27H,15H2,1H3/b23-22+
InChIKey PFQNNVLJOGHPFS-GHVJWSGMSA-N
Mol Weight 472.98 g/mol
Molecular Formula C23H18ClFN2O2S2
Exact Mass 472.048226 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7ltTJNSntRw
Name 2-propenenitrile, 3-[(3-chloro-2-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 472.048226037 u
Formula C23H18ClFN2O2S2
InChI InChI=1S/C23H18ClFN2O2S2/c1-16-20(24)8-5-9-21(16)27-23(30-15-17-10-12-18(25)13-11-17)22(14-26)31(28,29)19-6-3-2-4-7-19/h2-13,27H,15H2,1H3/b23-22+
InChIKey PFQNNVLJOGHPFS-GHVJWSGMSA-N
Molecular Weight 472.980 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_4098
Solvent DMSO-d6
Source Vendor ID: NMR/13279595