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2-propenenitrile, 3-[[(2,4-dimethylphenyl)methyl]thio]-3-[[3-(methylthio)phenyl]amino]-2-(phenylsulfonyl)-, (2E)-
SpectraBase Compound ID KwXuvkTD41o
InChI InChI=1S/C25H24N2O2S3/c1-18-12-13-20(19(2)14-18)17-31-25(27-21-8-7-9-22(15-21)30-3)24(16-26)32(28,29)23-10-5-4-6-11-23/h4-15,27H,17H2,1-3H3/b25-24+
InChIKey LLFGOECKYHCWGT-OCOZRVBESA-N
Mol Weight 480.66 g/mol
Molecular Formula C25H24N2O2S3
Exact Mass 480.099992 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KJ4QMv7RBYw
Name 2-propenenitrile, 3-[[(2,4-dimethylphenyl)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 480.099991541 u
Formula C25H24N2O2S3
InChI InChI=1S/C25H24N2O2S3/c1-18-12-13-20(19(2)14-18)17-31-25(27-21-8-7-9-22(15-21)30-3)24(16-26)32(28,29)23-10-5-4-6-11-23/h4-15,27H,17H2,1-3H3/b25-24+
InChIKey LLFGOECKYHCWGT-OCOZRVBESA-N
Molecular Weight 480.659 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_4431
Solvent DMSO-d6
Source Vendor ID: NMR/13288041