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3-pyridinecarbonitrile, 1,4,5,6-tetrahydro-4-(3-methyl-2-thienyl)-6-oxo-2-[(phenylmethyl)thio]-
SpectraBase Compound ID 7gGWZaE3SyA
InChI InChI=1S/C18H16N2OS2/c1-12-7-8-22-17(12)14-9-16(21)20-18(15(14)10-19)23-11-13-5-3-2-4-6-13/h2-8,14H,9,11H2,1H3,(H,20,21)
InChIKey XGSXYYSIJLTWRZ-UHFFFAOYSA-N
Mol Weight 340.46 g/mol
Molecular Formula C18H16N2OS2
Exact Mass 340.070405 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FsXiA8zZq2j
Name 3-pyridinecarbonitrile, 1,4,5,6-tetrahydro-4-(3-methyl-2-thienyl)-6-oxo-2-[(phenylmethyl)thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.070405490 u
Formula C18H16N2OS2
InChI InChI=1S/C18H16N2OS2/c1-12-7-8-22-17(12)14-9-16(21)20-18(15(14)10-19)23-11-13-5-3-2-4-6-13/h2-8,14H,9,11H2,1H3,(H,20,21)
InChIKey XGSXYYSIJLTWRZ-UHFFFAOYSA-N
Molecular Weight 340.459 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1925
Solvent DMSO-d6
Source Vendor ID: ZI/8159340; Lab Info: KR; Lab Number: KR-ug00411
Temperature 29.85 °C