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2-propenenitrile, 3-[(2-chlorophenyl)amino]-3-[[(4-methylphenyl)methyl]thio]-2-(phenylsulfonyl)-, (2E)-
SpectraBase Compound ID IQZvrQyXM07
InChI InChI=1S/C23H19ClN2O2S2/c1-17-11-13-18(14-12-17)16-29-23(26-21-10-6-5-9-20(21)24)22(15-25)30(27,28)19-7-3-2-4-8-19/h2-14,26H,16H2,1H3/b23-22+
InChIKey LJYWERKCPXQECX-GHVJWSGMSA-N
Mol Weight 454.99 g/mol
Molecular Formula C23H19ClN2O2S2
Exact Mass 454.057648 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CREXDMVI98j
Name 2-propenenitrile, 3-[(2-chlorophenyl)amino]-3-[[(4-methylphenyl)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 454.057647906 u
Formula C23H19ClN2O2S2
InChI InChI=1S/C23H19ClN2O2S2/c1-17-11-13-18(14-12-17)16-29-23(26-21-10-6-5-9-20(21)24)22(15-25)30(27,28)19-7-3-2-4-8-19/h2-14,26H,16H2,1H3/b23-22+
InChIKey LJYWERKCPXQECX-GHVJWSGMSA-N
Molecular Weight 454.990 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_4409
Solvent DMSO-d6
Source Vendor ID: NMR/13288014