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2-propenenitrile, 3-[(4-bromophenyl)amino]-3-[[(2-methylphenyl)methyl]thio]-2-(phenylsulfonyl)-, (2E)-
SpectraBase Compound ID 5r5YVLO3b5f
InChI InChI=1S/C23H19BrN2O2S2/c1-17-7-5-6-8-18(17)16-29-23(26-20-13-11-19(24)12-14-20)22(15-25)30(27,28)21-9-3-2-4-10-21/h2-14,26H,16H2,1H3/b23-22+
InChIKey OEBUIPAJCWQWPH-GHVJWSGMSA-N
Mol Weight 499.44 g/mol
Molecular Formula C23H19BrN2O2S2
Exact Mass 498.007133 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KpCDT1CKaVp
Name 2-propenenitrile, 3-[(4-bromophenyl)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 498.007133206 u
Formula C23H19BrN2O2S2
InChI InChI=1S/C23H19BrN2O2S2/c1-17-7-5-6-8-18(17)16-29-23(26-20-13-11-19(24)12-14-20)22(15-25)30(27,28)21-9-3-2-4-10-21/h2-14,26H,16H2,1H3/b23-22+
InChIKey OEBUIPAJCWQWPH-GHVJWSGMSA-N
Molecular Weight 499.441 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_4421
Solvent DMSO-d6
Source Vendor ID: NMR/13288030