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4-{[(E)-9-anthrylmethylidene]amino}-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID LYdmC9dIya5
InChI InChI=1S/C23H18N6S/c30-23-28-27-22(21-18-10-5-11-20(18)25-26-21)29(23)24-13-19-16-8-3-1-6-14(16)12-15-7-2-4-9-17(15)19/h1-4,6-9,12-13H,5,10-11H2,(H,25,26)(H,28,30)/b24-13+
InChIKey UYYFDHHKTDJZET-ZMOGYAJESA-N
Mol Weight 410.5 g/mol
Molecular Formula C23H18N6S
Exact Mass 410.131366 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IFgXILwW9c7
Name 4-{[(E)-9-anthrylmethylidene]amino}-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
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/C23H18N6S/c30-23-28-27-22(21-18-10-5-11-20(18)25-26-21)29(23)24-13-19-16-8-3-1-6-14(16)12-15-7-2-4-9-17(15)19/h1-4,6-9,12-13H,5,10-11H2,(H,25,26)(H,28,30)/b24-13+
InChIKey UYYFDHHKTDJZET-ZMOGYAJESA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10561
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: E00641; Labnumber: GRES-19388; SBI_ID: SBI-010564
Synonyms 4-{[(E)-9-anthrylmethylidene]amino}-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-3-yl hydrosulfide4-{[9-anthrylmethylidene]amino}-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol
Temperature 318 °C