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2-{2,5-dimethyl-3-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}-4,5-dimethyl-3-thiophenecarbonitrile

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2-{2,5-dimethyl-3-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}-4,5-dimethyl-3-thiophenecarbonitrile
SpectraBase Compound ID 9NMSJmDIXtt
InChI InChI=1S/C16H16N6S/c1-10-5-14(7-20-21-8-18-19-9-21)12(3)22(10)16-15(6-17)11(2)13(4)23-16/h5,7-9H,1-4H3/b20-7+
InChIKey AQVHLVIDHRPCCN-IFRROFPPSA-N
Mol Weight 324.41 g/mol
Molecular Formula C16H16N6S
Exact Mass 324.115716 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5MTYON9Q3w5
Name 2-{2,5-dimethyl-3-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}-4,5-dimethyl-3-thiophenecarbonitrile
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C16H16N6S/c1-10-5-14(7-20-21-8-18-19-9-21)12(3)22(10)16-15(6-17)11(2)13(4)23-16/h5,7-9H,1-4H3/b20-7+
InChIKey AQVHLVIDHRPCCN-IFRROFPPSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22913
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: D36071; Labnumber: SPDEM4-21359; SBI_ID: SBI-022917
Synonyms 2-{2,5-dimethyl-3-[(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}-4,5-dimethyl-3-thiophenecarbonitrile
Temperature 308 °C