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2-propenenitrile, 3-[(2-fluorophenyl)amino]-3-[[(4-fluorophenyl)methyl]thio]-2-(phenylsulfonyl)-, (2E)-
SpectraBase Compound ID G3whtaA9Jgc
InChI InChI=1S/C22H16F2N2O2S2/c23-17-12-10-16(11-13-17)15-29-22(26-20-9-5-4-8-19(20)24)21(14-25)30(27,28)18-6-2-1-3-7-18/h1-13,26H,15H2/b22-21+
InChIKey IPJUJXZXZQHKPU-QURGRASLSA-N
Mol Weight 442.5 g/mol
Molecular Formula C22H16F2N2O2S2
Exact Mass 442.062126 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CQbmNsXIfEt
Name 2-propenenitrile, 3-[(2-fluorophenyl)amino]-3-[[(4-fluorophenyl)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 442.062126435 u
Formula C22H16F2N2O2S2
InChI InChI=1S/C22H16F2N2O2S2/c23-17-12-10-16(11-13-17)15-29-22(26-20-9-5-4-8-19(20)24)21(14-25)30(27,28)18-6-2-1-3-7-18/h1-13,26H,15H2/b22-21+
InChIKey IPJUJXZXZQHKPU-QURGRASLSA-N
Molecular Weight 442.499 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_4086
Solvent DMSO-d6
Source Vendor ID: NMR/13279581