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3-pyridinecarbonitrile, 4-(2-ethoxyphenyl)-1,4,5,6-tetrahydro-2-[(1-naphthalenylmethyl)thio]-6-oxo-
SpectraBase Compound ID 3dhU6hV0O2P
InChI InChI=1S/C25H22N2O2S/c1-2-29-23-13-6-5-12-20(23)21-14-24(28)27-25(22(21)15-26)30-16-18-10-7-9-17-8-3-4-11-19(17)18/h3-13,21H,2,14,16H2,1H3,(H,27,28)
InChIKey ZCUNLAZPPSDRCO-UHFFFAOYSA-N
Mol Weight 414.52 g/mol
Molecular Formula C25H22N2O2S
Exact Mass 414.140199 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FQSEeXi5zNa
Name 3-pyridinecarbonitrile, 4-(2-ethoxyphenyl)-1,4,5,6-tetrahydro-2-[(1-naphthalenylmethyl)thio]-6-oxo-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.140199128 u
Formula C25H22N2O2S
InChI InChI=1S/C25H22N2O2S/c1-2-29-23-13-6-5-12-20(23)21-14-24(28)27-25(22(21)15-26)30-16-18-10-7-9-17-8-3-4-11-19(17)18/h3-13,21H,2,14,16H2,1H3,(H,27,28)
InChIKey ZCUNLAZPPSDRCO-UHFFFAOYSA-N
Molecular Weight 414.523 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6380
Solvent DMSO-d6
Source Vendor ID: NMR/9253161; Lab Info: KR; Lab Number: KR-0000013