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4-((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 6AHc0aMSK9D
InChI InChI=1S/C15H14N6OS/c22-10-6-4-9(5-7-10)8-16-21-14(19-20-15(21)23)13-11-2-1-3-12(11)17-18-13/h4-8,22H,1-3H2,(H,17,18)(H,20,23)/b16-8+
InChIKey DTQHUNKBXGTPLA-LZYBPNLTSA-N
Mol Weight 326.38 g/mol
Molecular Formula C15H14N6OS
Exact Mass 326.09498 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2bzsTuLU6Un
Name 4-((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/C15H14N6OS/c22-10-6-4-9(5-7-10)8-16-21-14(19-20-15(21)23)13-11-2-1-3-12(11)17-18-13/h4-8,22H,1-3H2,(H,17,18)(H,20,23)/b16-8+
InChIKey DTQHUNKBXGTPLA-LZYBPNLTSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10559
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: E00633; Labnumber: GRES-18808; SBI_ID: SBI-010562
Synonyms 4-({[3-sulfanyl-5-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
Temperature 318 °C