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3-pyridinecarbonitrile, 2-[[2-bromo-2-(octylsulfonyl)ethyl]thio]-4,6-dimethyl-
SpectraBase Compound ID 9iSDE3bblfr
InChI InChI=1S/C18H27BrN2O2S2/c1-4-5-6-7-8-9-10-25(22,23)17(19)13-24-18-16(12-20)14(2)11-15(3)21-18/h11,17H,4-10,13H2,1-3H3
InChIKey WOEQXXHOJABGTP-UHFFFAOYSA-N
Mol Weight 447.45 g/mol
Molecular Formula C18H27BrN2O2S2
Exact Mass 446.069733 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CNJaKxkSaZ4
Name 3-pyridinecarbonitrile, 2-[[2-bromo-2-(octylsulfonyl)ethyl]thio]-4,6-dimethyl-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C18H27BrN2O2S2/c1-4-5-6-7-8-9-10-25(22,23)17(19)13-24-18-16(12-20)14(2)11-15(3)21-18/h11,17H,4-10,13H2,1-3H3
InChIKey WOEQXXHOJABGTP-UHFFFAOYSA-N
NMR Offset 16.579
NMR Spectrometer Frequency 250.133
Observed nucleus 1H
Origin 1H_CB_8313_1741
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: NMR/9211770; Labnumber: L-25,Kalugin
Temperature 297 °C