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2-propenenitrile, 3-[[(2-chloro-6-fluorophenyl)methyl]thio]-3-[(3-methylphenyl)amino]-2-(phenylsulfonyl)-, (2E)-
SpectraBase Compound ID I6QnnS8MdPP
InChI InChI=1S/C23H18ClFN2O2S2/c1-16-7-5-8-17(13-16)27-23(30-15-19-20(24)11-6-12-21(19)25)22(14-26)31(28,29)18-9-3-2-4-10-18/h2-13,27H,15H2,1H3/b23-22+
InChIKey SBZXRHCTDUUHEU-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 2B6fTcvqYGg
Name 2-propenenitrile, 3-[[(2-chloro-6-fluorophenyl)methyl]thio]-3-[(3-methylphenyl)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 472.048226037 u
Formula C23H18ClFN2O2S2
InChI InChI=1S/C23H18ClFN2O2S2/c1-16-7-5-8-17(13-16)27-23(30-15-19-20(24)11-6-12-21(19)25)22(14-26)31(28,29)18-9-3-2-4-10-18/h2-13,27H,15H2,1H3/b23-22+
InChIKey SBZXRHCTDUUHEU-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_4420
Solvent DMSO-d6
Source Vendor ID: NMR/13288029