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2-{3-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
SpectraBase Compound ID 1LueosrtbDj
InChI InChI=1S/C22H22N4O2S2/c1-12-9-14(10-16-19(27)24(3)22(29)25(4)20(16)28)13(2)26(12)21-17(11-23)15-7-5-6-8-18(15)30-21/h9-10H,5-8H2,1-4H3
InChIKey HCFKUJNQNIJULV-UHFFFAOYSA-N
Mol Weight 438.56 g/mol
Molecular Formula C22H22N4O2S2
Exact Mass 438.118418 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EMVagbLRygf
Name 2-{3-[(1,3-dimethyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
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/C22H22N4O2S2/c1-12-9-14(10-16-19(27)24(3)22(29)25(4)20(16)28)13(2)26(12)21-17(11-23)15-7-5-6-8-18(15)30-21/h9-10H,5-8H2,1-4H3
InChIKey HCFKUJNQNIJULV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5942
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: 62511; UBI_ID: UBI-005944
Temperature 318 °C