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acetic acid, [(3-cyano-4-methyl-6-phenyl-2-pyridinyl)thio]-, methylester
SpectraBase Compound ID 5igQ5gCXtO8
InChI InChI=1S/C16H14N2O2S/c1-11-8-14(12-6-4-3-5-7-12)18-16(13(11)9-17)21-10-15(19)20-2/h3-8H,10H2,1-2H3
InChIKey UZPZFCRZWHVVIX-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 94RiTI7kXJ8
Name acetic acid, [(3-cyano-4-methyl-6-phenyl-2-pyridinyl)thio]-, methylester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.077598871 u
Formula C16H14N2O2S
InChI InChI=1S/C16H14N2O2S/c1-11-8-14(12-6-4-3-5-7-12)18-16(13(11)9-17)21-10-15(19)20-2/h3-8H,10H2,1-2H3
InChIKey UZPZFCRZWHVVIX-UHFFFAOYSA-N
Molecular Weight 298.360 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6619
Solvent DMSO-d6
Source Vendor ID: NMR/9264783; Lab Info: KR; Lab Number: KR-0000020