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2-propenenitrile, 3-[[(3-fluorophenyl)methyl]thio]-3-[[3-(methylthio)phenyl]amino]-2-(phenylsulfonyl)-, (2E)-
SpectraBase Compound ID IhY1a45BgfZ
InChI InChI=1S/C23H19FN2O2S3/c1-29-20-10-6-9-19(14-20)26-23(30-16-17-7-5-8-18(24)13-17)22(15-25)31(27,28)21-11-3-2-4-12-21/h2-14,26H,16H2,1H3/b23-22+
InChIKey KXMOZGFPBDJQLO-GHVJWSGMSA-N
Mol Weight 470.6 g/mol
Molecular Formula C23H19FN2O2S3
Exact Mass 470.05927 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HSKWopg30bP
Name 2-propenenitrile, 3-[[(3-fluorophenyl)methyl]thio]-3-[[3-(methylthio)phenyl]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 470.059269543 u
Formula C23H19FN2O2S3
InChI InChI=1S/C23H19FN2O2S3/c1-29-20-10-6-9-19(14-20)26-23(30-16-17-7-5-8-18(24)13-17)22(15-25)31(27,28)21-11-3-2-4-12-21/h2-14,26H,16H2,1H3/b23-22+
InChIKey KXMOZGFPBDJQLO-GHVJWSGMSA-N
Molecular Weight 470.595 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_4433
Solvent DMSO-d6
Source Vendor ID: NMR/13288043