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Ethyl-1-(4-(2-(2-chloroacetyl)hydrazinecarbonyl)phenyl)-3-oxo-5-phenyl-2,3-dihydro-1H-pyrazol-4-carboxylate
SpectraBase Compound ID GKqSUeoljVp
InChI InChI=1S/C21H19ClN4O5/c1-2-31-21(30)17-18(13-6-4-3-5-7-13)26(25-20(17)29)15-10-8-14(9-11-15)19(28)24-23-16(27)12-22/h3-11H,2,12H2,1H3,(H,23,27)(H,24,28)(H,25,29)
InChIKey BYBSOOJLTSQUKT-UHFFFAOYSA-N
Mol Weight 442.86 g/mol
Molecular Formula C21H19ClN4O5
Exact Mass 442.104397 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G1VH6ioja8e
Name Ethyl-1-(4-(2-(2-chloroacetyl)hydrazinecarbonyl)phenyl)-3-oxo-5-phenyl-2,3-dihydro-1H-pyrazol-4-carboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19ClN4O5
InChI InChI=1S/C21H19ClN4O5/c1-2-31-21(30)17-18(13-6-4-3-5-7-13)26(25-20(17)29)15-10-8-14(9-11-15)19(28)24-23-16(27)12-22/h3-11H,2,12H2,1H3,(H,23,27)(H,24,28)(H,25,29)
InChIKey BYBSOOJLTSQUKT-UHFFFAOYSA-N
Molecular Weight 442.859 g/mol
SMILES N1N(c2ccc(C(NNC(=O)CCl)=O)cc2)C(=C(C(=O)OCC)C1=O)c1ccccc1
SPLASH splash10-014i-0000900000-95632ea6cd1b27fee194
Source of Spectrum F2-44-4633-6j
Synonyms 2-[4-[[(2-chloro-1-oxoethyl)hydrazo]-oxomethyl]phenyl]-5-oxo-3-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester ethyl 2-[4-[[(2-chloroacetyl)amino]carbamoyl]phenyl]-5-oxo-3-phenyl-1H-pyrazole-4-carboxylate ethyl 2-[4-[(2-chloranylethanoylamino)carbamoyl]phenyl]-5-oxidanylidene-3-phenyl-1H-pyrazole-4-carboxylate
Wiley ID 1705823