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N-(4-bromophenyl)-2-{[3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydro-2-pyridinyl]sulfanyl}acetamide
SpectraBase Compound ID KAdJNpsS16g
InChI InChI=1S/C21H18BrN3O3S/c1-28-18-5-3-2-4-15(18)16-10-19(26)25-21(17(16)11-23)29-12-20(27)24-14-8-6-13(22)7-9-14/h2-9,16H,10,12H2,1H3,(H,24,27)(H,25,26)
InChIKey WJBYLGYZBWEPMM-UHFFFAOYSA-N
Mol Weight 472.36 g/mol
Molecular Formula C21H18BrN3O3S
Exact Mass 471.025226 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6hSGJpI5kyQ
Name N-(4-bromophenyl)-2-{[3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydro-2-pyridinyl]sulfanyl}acetamide
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/C21H18BrN3O3S/c1-28-18-5-3-2-4-15(18)16-10-19(26)25-21(17(16)11-23)29-12-20(27)24-14-8-6-13(22)7-9-14/h2-9,16H,10,12H2,1H3,(H,24,27)(H,25,26)
InChIKey WJBYLGYZBWEPMM-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_112
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: ZI/8016862; Labnumber: KR-lug0101
Temperature 297 °C