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Ethyl 5-([1-(4-chlorophenyl)-3-methyl-5-oxo-2-pyrazolin-4-ylidene]methylamino)-4-cyano-3-methyl-2-thiophenecarboxylate
SpectraBase Compound ID 6kyXpLgISM8
InChI InChI=1S/C20H17ClN4O3S/c1-4-28-20(27)17-11(2)15(9-22)18(29-17)23-10-16-12(3)24-25(19(16)26)14-7-5-13(21)6-8-14/h5-8,10,23H,4H2,1-3H3/b16-10-
InChIKey UXHVGMQCRQBXJS-YBEGLDIGSA-N
Mol Weight 428.89 g/mol
Molecular Formula C20H17ClN4O3S
Exact Mass 428.070989 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DSc7tyUc9Fs
Name ETHYL 5-{[1-(4-CHLOROPHENYL)-3-METHYL-5-OXO-2-PYRAZOLIN-4-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H17ClN4O3S
InChI InChI=1S/C20H17ClN4O3S/c1-4-28-20(27)17-11(2)15(9-22)18(29-17)23-10-16-12(3)24-25(19(16)26)14-7-5-13(21)6-8-14/h5-8,10,23H,4H2,1-3H3/b16-10-
InChIKey UXHVGMQCRQBXJS-YBEGLDIGSA-N
Molecular Weight 428.0707
SMILES N(c1c(C#N)c(C)c(C(OCC)=O)s1)\C=C\1C(C)=NN(c2ccc(Cl)cc2)C1=O
SPLASH splash10-016r-9770500000-279a9931cc60b15bb0b8
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany