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1-((E)-{[3-(3-methyl-1H-pyrazol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-naphthol
SpectraBase Compound ID EAv3QJYdl2b
InChI InChI=1S/C17H14N6OS/c1-10-8-14(20-19-10)16-21-22-17(25)23(16)18-9-13-12-5-3-2-4-11(12)6-7-15(13)24/h2-9,24H,1H3,(H,19,20)(H,22,25)/b18-9+
InChIKey NDZRSAXLKRVWGL-GIJQJNRQSA-N
Mol Weight 350.4 g/mol
Molecular Formula C17H14N6OS
Exact Mass 350.09498 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9hgWBozO1Ar
Name 1-((E)-{[3-(3-methyl-1H-pyrazol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-naphthol
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/C17H14N6OS/c1-10-8-14(20-19-10)16-21-22-17(25)23(16)18-9-13-12-5-3-2-4-11(12)6-7-15(13)24/h2-9,24H,1H3,(H,19,20)(H,22,25)/b18-9+
InChIKey NDZRSAXLKRVWGL-GIJQJNRQSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4010
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: E00494; Labnumber: GRES-08731; SBI_ID: SBI-004012
Synonyms 1-({[3-(3-methyl-1H-pyrazol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-naphthol
Temperature 318 °C