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4-Methyl-N'-{(1E)-[3-methyl-1-phenyl-5-(phenylethynyl)-1H-pyrazol-4-yl]methylene}benzenesulfonohydrazide
SpectraBase Compound ID 9SyyN11xjMe
InChI InChI=1S/C26H22N4O2S/c1-20-13-16-24(17-14-20)33(31,32)29-27-19-25-21(2)28-30(23-11-7-4-8-12-23)26(25)18-15-22-9-5-3-6-10-22/h3-14,16-17,19,29H,1-2H3/b27-19+
InChIKey QTTSKTCHDIAYQP-ZXVVBBHZSA-N
Mol Weight 454.55 g/mol
Molecular Formula C26H22N4O2S
Exact Mass 454.146347 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID mjlHkKysYl
Name 4-Methyl-N'-{(1E)-[3-methyl-1-phenyl-5-(phenylethynyl)-1H-pyrazol-4-yl]methylene}benzenesulfonohydrazide
Appearance Yellowish crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H22N4O2S
InChI InChI=1S/C26H22N4O2S/c1-20-13-16-24(17-14-20)33(31,32)29-27-19-25-21(2)28-30(23-11-7-4-8-12-23)26(25)18-15-22-9-5-3-6-10-22/h3-14,16-17,19,29H,1-2H3/b27-19+
InChIKey QTTSKTCHDIAYQP-ZXVVBBHZSA-N
Instrument Name Shimadzu QP 1000
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.251
Molecular Weight 454.548 g/mol
SMILES N(\N=C\c1c([n](nc1C)-c1ccccc1)C#Cc1ccccc1)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-052f-9010000000-cb5d0a779460710cec03
Source of Spectrum BJO-8-SM2-2a
Wiley ID 1867332