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6-isobutyl-2-{[1-(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}nicotinonitrile
SpectraBase Compound ID 2vw9dKzHjxF
InChI InChI=1S/C21H21N3O3S/c1-13(2)10-15-5-4-14(12-22)20(23-15)28-18-11-19(25)24(21(18)26)16-6-8-17(27-3)9-7-16/h4-9,13,18H,10-11H2,1-3H3
InChIKey RXOZVAQMDRYKDI-UHFFFAOYSA-N
Mol Weight 395.48 g/mol
Molecular Formula C21H21N3O3S
Exact Mass 395.130363 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DMdqfqREEA9
Name 6-isobutyl-2-{[1-(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}nicotinonitrile
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/C21H21N3O3S/c1-13(2)10-15-5-4-14(12-22)20(23-15)28-18-11-19(25)24(21(18)26)16-6-8-17(27-3)9-7-16/h4-9,13,18H,10-11H2,1-3H3
InChIKey RXOZVAQMDRYKDI-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12733
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/9125004; UBI_ID: UBI-012736
Temperature 313 °C