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2-propenenitrile, 3-[(3,5-dimethylphenyl)amino]-3-[[(2-methylphenyl)methyl]thio]-2-(phenylsulfonyl)-, (2E)-
SpectraBase Compound ID 65EwGv2QnS0
InChI InChI=1S/C25H24N2O2S2/c1-18-13-19(2)15-22(14-18)27-25(30-17-21-10-8-7-9-20(21)3)24(16-26)31(28,29)23-11-5-4-6-12-23/h4-15,27H,17H2,1-3H3/b25-24+
InChIKey NXCNWQFTKFAOGU-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 FEsUlcE8O2Z
Name 2-propenenitrile, 3-[(3,5-dimethylphenyl)amino]-3-[[(2-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/c1-18-13-19(2)15-22(14-18)27-25(30-17-21-10-8-7-9-20(21)3)24(16-26)31(28,29)23-11-5-4-6-12-23/h4-15,27H,17H2,1-3H3/b25-24+
InChIKey NXCNWQFTKFAOGU-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_4422
Solvent DMSO-d6
Source Vendor ID: NMR/13288031