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2-[(E)-({3-[4-(dimethylamino)phenyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}imino)methyl]-6-methoxyphenol

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2-[(E)-({3-[4-(dimethylamino)phenyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}imino)methyl]-6-methoxyphenol
SpectraBase Compound ID FsZM2liJTO0
InChI InChI=1S/C18H19N5O2S/c1-22(2)14-9-7-12(8-10-14)17-20-21-18(26)23(17)19-11-13-5-4-6-15(25-3)16(13)24/h4-11,24H,1-3H3,(H,21,26)/b19-11+
InChIKey BECVCQFUYBKPJD-YBFXNURJSA-N
Mol Weight 369.44 g/mol
Molecular Formula C18H19N5O2S
Exact Mass 369.125946 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9b8dBUUnOQ5
Name 2-[(E)-({3-[4-(dimethylamino)phenyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}imino)methyl]-6-methoxyphenol
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/C18H19N5O2S/c1-22(2)14-9-7-12(8-10-14)17-20-21-18(26)23(17)19-11-13-5-4-6-15(25-3)16(13)24/h4-11,24H,1-3H3,(H,21,26)/b19-11+
InChIKey BECVCQFUYBKPJD-YBFXNURJSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16442
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: D25286; Labnumber: GRES-03346; SBI_ID: SBI-016445
Synonyms 2-[({3-[4-(dimethylamino)phenyl]-5-sulfanyl-4H-1,2,4-triazol-4-yl}imino)methyl]-6-methoxyphenol
Temperature 318 °C