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4-(mercapto(phenylamino)methylene)-1-(2-oxo-2H-chromene-3-carbonyl)-3-phenyl-1H-pyrazol-5(4H)-one
SpectraBase Compound ID 9pzm9L9xJLf
InChI InChI=1S/C26H17N3O4S/c30-24(19-15-17-11-7-8-14-20(17)33-26(19)32)29-25(31)21(22(28-29)16-9-3-1-4-10-16)23(34)27-18-12-5-2-6-13-18/h1-15,27,34H/b23-21-
InChIKey OETCVCBZIPVVJC-LNVKXUELSA-N
Mol Weight 467.5 g/mol
Molecular Formula C26H17N3O4S
Exact Mass 467.093977 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7TQKRYNilRs
Name 4-(mercapto(phenylamino)methylene)-1-(2-oxo-2H-chromene-3-carbonyl)-3-phenyl-1H-pyrazol-5(4H)-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H17N3O4S
InChI InChI=1S/C26H17N3O4S/c30-24(19-15-17-11-7-8-14-20(17)33-26(19)32)29-25(31)21(22(28-29)16-9-3-1-4-10-16)23(34)27-18-12-5-2-6-13-18/h1-15,27,34H/b23-21-
InChIKey OETCVCBZIPVVJC-LNVKXUELSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3487
Molecular Weight 467.499 g/mol
SMILES N(\C(=C/1C(=NN(C1=O)C(C=1C(=O)Oc2c(cccc2)C1)=O)c1ccccc1)S)c1ccccc1
SPLASH splash10-004i-9733100000-407d2bf4f1ed98ce127c
Source of Spectrum Y-56-1278-2
Wiley ID 1859493