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2-{[1-(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}-6-methyl-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
SpectraBase Compound ID 1r3fV2MUrxo
InChI InChI=1S/C22H21N3O3S/c1-13-3-8-18-14(9-13)10-15(12-23)21(24-18)29-19-11-20(26)25(22(19)27)16-4-6-17(28-2)7-5-16/h4-7,10,13,19H,3,8-9,11H2,1-2H3
InChIKey WCECIMGLNDZTIE-UHFFFAOYSA-N
Mol Weight 407.49 g/mol
Molecular Formula C22H21N3O3S
Exact Mass 407.130363 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BqK4CxYrb93
Name 2-{[1-(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}-6-methyl-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
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/C22H21N3O3S/c1-13-3-8-18-14(9-13)10-15(12-23)21(24-18)29-19-11-20(26)25(22(19)27)16-4-6-17(28-2)7-5-16/h4-7,10,13,19H,3,8-9,11H2,1-2H3
InChIKey WCECIMGLNDZTIE-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12719
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/9124839; UBI_ID: UBI-012722
Temperature 313 °C