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2-{[3-cyano-6-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methyl-2-pyridinyl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide
SpectraBase Compound ID FB40r6HgGBJ
InChI InChI=1S/C20H16F7N3OS/c1-10-4-5-14(12(3)6-10)29-16(31)9-32-17-13(8-28)11(2)7-15(30-17)18(21,22)19(23,24)20(25,26)27/h4-7H,9H2,1-3H3,(H,29,31)
InChIKey YITWJDXMFRRZHO-UHFFFAOYSA-N
Mol Weight 479.42 g/mol
Molecular Formula C20H16F7N3OS
Exact Mass 479.09023 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BXQXjHcQJ2G
Name 2-{[3-cyano-6-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methyl-2-pyridinyl]sulfanyl}-N-(2,4-dimethylphenyl)acetamide
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/C20H16F7N3OS/c1-10-4-5-14(12(3)6-10)29-16(31)9-32-17-13(8-28)11(2)7-15(30-17)18(21,22)19(23,24)20(25,26)27/h4-7H,9H2,1-3H3,(H,29,31)
InChIKey YITWJDXMFRRZHO-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_11473
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: UZI/1265623; Labnumber: NIV1383; UZI_ID: UZI-011475
Temperature 318 °C