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2-[(5-formyl-2-methoxybenzyl)sulfanyl]-4-methyl-6-(trifluoromethyl)nicotinonitrile
SpectraBase Compound ID DaNSozxvArO
InChI InChI=1S/C17H13F3N2O2S/c1-10-5-15(17(18,19)20)22-16(13(10)7-21)25-9-12-6-11(8-23)3-4-14(12)24-2/h3-6,8H,9H2,1-2H3
InChIKey RVACASJHLNOAOQ-UHFFFAOYSA-N
Mol Weight 366.36 g/mol
Molecular Formula C17H13F3N2O2S
Exact Mass 366.064983 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AgIfYUEFBw9
Name 2-[(5-formyl-2-methoxybenzyl)sulfanyl]-4-methyl-6-(trifluoromethyl)nicotinonitrile
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/C17H13F3N2O2S/c1-10-5-15(17(18,19)20)22-16(13(10)7-21)25-9-12-6-11(8-23)3-4-14(12)24-2/h3-6,8H,9H2,1-2H3
InChIKey RVACASJHLNOAOQ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_16312
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/9142824; Labnumber: OLALKSH/0075; UZI_ID: UZI-016316
Temperature 318 °C