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2,4-dibromo-6-((E)-{[3-sulfanyl-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-yl]imino}methyl)phenol

View entire compound with spectra: 1 NMR

2,4-dibromo-6-((E)-{[3-sulfanyl-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
SpectraBase Compound ID vOgf32K7zv
InChI InChI=1S/C15H12Br2N6OS/c16-8-4-7(13(24)10(17)5-8)6-18-23-14(21-22-15(23)25)12-9-2-1-3-11(9)19-20-12/h4-6,24H,1-3H2,(H,19,20)(H,22,25)/b18-6+
InChIKey FBXATQIIEDTAIG-NGYBGAFCSA-N
Mol Weight 484.17 g/mol
Molecular Formula C15H12Br2N6OS
Exact Mass 481.916006 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ApN802LwkJ3
Name 2,4-dibromo-6-((E)-{[3-sulfanyl-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
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/C15H12Br2N6OS/c16-8-4-7(13(24)10(17)5-8)6-18-23-14(21-22-15(23)25)12-9-2-1-3-11(9)19-20-12/h4-6,24H,1-3H2,(H,19,20)(H,22,25)/b18-6+
InChIKey FBXATQIIEDTAIG-NGYBGAFCSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4134
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: E00842; Labnumber: GRES-33502; SBI_ID: SBI-004136
Synonyms 2,4-dibromo-6-({[3-sulfanyl-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
Temperature 308 °C