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N-(3-oxo-3-(2-(2-oxondolin-3-ylidene)hydrazinyl)-1-(thiophen-2-yl)prop-1-en-2-yl)benzamide
SpectraBase Compound ID HM6PQkm2Png
InChI InChI=1S/C22H16N4O3S/c27-20(14-7-2-1-3-8-14)24-18(13-15-9-6-12-30-15)21(28)26-25-19-16-10-4-5-11-17(16)23-22(19)29/h1-13H,(H,24,27)(H,26,28)(H,23,25,29)
InChIKey AGMAIYXUIGVBQC-UHFFFAOYSA-N
Mol Weight 416.46 g/mol
Molecular Formula C22H16N4O3S
Exact Mass 416.094312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 60KyaCmdwpY
Name N-(3-oxo-3-(2-(2-oxondolin-3-ylidene)hydrazinyl)-1-(thiophen-2-yl)prop-1-en-2-yl)benzamide
Appearance Orange crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16N4O3S
InChI InChI=1S/C22H16N4O3S/c27-20(14-7-2-1-3-8-14)24-18(13-15-9-6-12-30-15)21(28)26-25-19-16-10-4-5-11-17(16)23-22(19)29/h1-13H,(H,24,27)(H,26,28)(H,23,25,29)
InChIKey AGMAIYXUIGVBQC-UHFFFAOYSA-N
Instrument Name Shimadzu GCMSQP 1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3419
Molecular Weight 416.455 g/mol
SMILES N1C(C(=NNC(C(=Cc2cccs2)NC(=O)c2ccccc2)=O)c2ccccc12)=O
SPLASH splash10-03ka-9434000000-ceb3250fcf688c70acb7
Source of Spectrum Y-56-462-11
Wiley ID 1859397