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isopropyl 4-[(3-cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-3-oxobutanoate
SpectraBase Compound ID JGpehLnkJmD
InChI InChI=1S/C22H22N2O3S/c1-14(2)27-20(26)11-16(25)13-28-22-18(12-23)21(15-7-4-3-5-8-15)17-9-6-10-19(17)24-22/h3-5,7-8,14H,6,9-11,13H2,1-2H3
InChIKey KCWFWCWYLAZZPC-UHFFFAOYSA-N
Mol Weight 394.49 g/mol
Molecular Formula C22H22N2O3S
Exact Mass 394.135114 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BYraRfEaAJm
Name isopropyl 4-[(3-cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-3-oxobutanoate
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/C22H22N2O3S/c1-14(2)27-20(26)11-16(25)13-28-22-18(12-23)21(15-7-4-3-5-8-15)17-9-6-10-19(17)24-22/h3-5,7-8,14H,6,9-11,13H2,1-2H3
InChIKey KCWFWCWYLAZZPC-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_10536
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: 132617; Labnumber: SHES1-176; VK_ID: VK-010540
Temperature 308 °C