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2-[2-(2,4-Dichloro-phenyl)-2-oxo-ethylsulfanyl]-4-methoxymethyl-6-methyl-nicotinonitrile

View entire compound with spectra: 2 NMR, and 1 MS (GC)

2-[2-(2,4-Dichloro-phenyl)-2-oxo-ethylsulfanyl]-4-methoxymethyl-6-methyl-nicotinonitrile
SpectraBase Compound ID t0qPElacnF
InChI InChI=1S/C17H14Cl2N2O2S/c1-10-5-11(8-23-2)14(7-20)17(21-10)24-9-16(22)13-4-3-12(18)6-15(13)19/h3-6H,8-9H2,1-2H3
InChIKey ACVLKVLTLSZPAF-UHFFFAOYSA-N
Mol Weight 381.28 g/mol
Molecular Formula C17H14Cl2N2O2S
Exact Mass 380.015304 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Lm9SbuuKtjt
Name 2-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-4-(methoxymethyl)-6-methylnicotinonitrile
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/C17H14Cl2N2O2S/c1-10-5-11(8-23-2)14(7-20)17(21-10)24-9-16(22)13-4-3-12(18)6-15(13)19/h3-6H,8-9H2,1-2H3
InChIKey ACVLKVLTLSZPAF-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3001
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 9313379; UBI_ID: UBI-003002
Temperature 313 °C