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2-propenenitrile, 3-[(3,5-dimethylphenyl)amino]-3-[[(3-methylphenyl)methyl]thio]-2-(phenylsulfonyl)-, (2E)-
SpectraBase Compound ID JanmOKmZEhn
InChI InChI=1S/C25H24N2O2S2/c1-18-8-7-9-21(13-18)17-30-25(27-22-14-19(2)12-20(3)15-22)24(16-26)31(28,29)23-10-5-4-6-11-23/h4-15,27H,17H2,1-3H3/b25-24+
InChIKey OADBGGPUGLHAOP-OCOZRVBESA-N
Mol Weight 448.6 g/mol
Molecular Formula C25H24N2O2S2
Exact Mass 448.12792 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 342di1XPc9r
Name 2-propenenitrile, 3-[(3,5-dimethylphenyl)amino]-3-[[(3-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 448.127920367 u
Formula C25H24N2O2S2
InChI InChI=1S/C25H24N2O2S2/c1-18-8-7-9-21(13-18)17-30-25(27-22-14-19(2)12-20(3)15-22)24(16-26)31(28,29)23-10-5-4-6-11-23/h4-15,27H,17H2,1-3H3/b25-24+
InChIKey OADBGGPUGLHAOP-OCOZRVBESA-N
Molecular Weight 448.599 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_4428
Solvent DMSO-d6
Source Vendor ID: NMR/13288037