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2-propenenitrile, 3-[[(2-chlorophenyl)methyl]thio]-3-[[3-(methylthio)phenyl]amino]-2-(phenylsulfonyl)-, (2E)-
SpectraBase Compound ID BDYG73dRRTB
InChI InChI=1S/C23H19ClN2O2S3/c1-29-19-10-7-9-18(14-19)26-23(30-16-17-8-5-6-13-21(17)24)22(15-25)31(27,28)20-11-3-2-4-12-20/h2-14,26H,16H2,1H3/b23-22+
InChIKey XVISYUFHDLYOIY-GHVJWSGMSA-N
Mol Weight 487.05 g/mol
Molecular Formula C23H19ClN2O2S3
Exact Mass 486.029719 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LQHk8dSjHGi
Name 2-propenenitrile, 3-[[(2-chlorophenyl)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 486.029719080 u
Formula C23H19ClN2O2S3
InChI InChI=1S/C23H19ClN2O2S3/c1-29-19-10-7-9-18(14-19)26-23(30-16-17-8-5-6-13-21(17)24)22(15-25)31(27,28)20-11-3-2-4-12-20/h2-14,26H,16H2,1H3/b23-22+
InChIKey XVISYUFHDLYOIY-GHVJWSGMSA-N
Molecular Weight 487.050 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_4437
Solvent DMSO-d6
Source Vendor ID: NMR/13288047