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Methyl[(3-cyano-6-methyl-4-phenyl-2-pyridinyl)sulfanyl]acetate

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

Methyl[(3-cyano-6-methyl-4-phenyl-2-pyridinyl)sulfanyl]acetate
SpectraBase Compound ID H4NFRgW7Bag
InChI InChI=1S/C16H14N2O2S/c1-11-8-13(12-6-4-3-5-7-12)14(9-17)16(18-11)21-10-15(19)20-2/h3-8H,10H2,1-2H3
InChIKey VVKZSLDCEVVRFS-UHFFFAOYSA-N
Mol Weight 298.36 g/mol
Molecular Formula C16H14N2O2S
Exact Mass 298.077599 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HPEw21CkGaG
Name acetic acid, [(3-cyano-6-methyl-4-phenyl-2-pyridinyl)thio]-, methyl ester
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/C16H14N2O2S/c1-11-8-13(12-6-4-3-5-7-12)14(9-17)16(18-11)21-10-15(19)20-2/h3-8H,10H2,1-2H3
InChIKey VVKZSLDCEVVRFS-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_CB_8313_1308
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: NMR/8325164; Labnumber: KR-0002702
Temperature 297 °C