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ethyl 2-[(cyanomethyl)sulfanyl]-4,6-diphenylnicotinate

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ethyl 2-[(cyanomethyl)sulfanyl]-4,6-diphenylnicotinate
SpectraBase Compound ID 97IsPFv8F2F
InChI InChI=1S/C22H18N2O2S/c1-2-26-22(25)20-18(16-9-5-3-6-10-16)15-19(17-11-7-4-8-12-17)24-21(20)27-14-13-23/h3-12,15H,2,14H2,1H3
InChIKey MCLIFLKKEVCMKR-UHFFFAOYSA-N
Mol Weight 374.46 g/mol
Molecular Formula C22H18N2O2S
Exact Mass 374.108899 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 66yaFpulHjH
Name ethyl 2-[(cyanomethyl)sulfanyl]-4,6-diphenylnicotinate
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/C22H18N2O2S/c1-2-26-22(25)20-18(16-9-5-3-6-10-16)15-19(17-11-7-4-8-12-17)24-21(20)27-14-13-23/h3-12,15H,2,14H2,1H3
InChIKey MCLIFLKKEVCMKR-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4723
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/8129743; UBI_ID: UBI-004724
Temperature 313 °C