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5-Ethoxycarbonyl-3-(4-bromophenyl)-1-phenylsulfonyl-4,5-dihydropyrazole
SpectraBase Compound ID iOw5PxJpcQ
InChI InChI=1S/C18H17BrN2O4S/c1-2-25-18(22)17-12-16(13-8-10-14(19)11-9-13)20-21(17)26(23,24)15-6-4-3-5-7-15/h3-11,17H,2,12H2,1H3
InChIKey JZDAQHFHTFMJQG-UHFFFAOYSA-N
Mol Weight 437.31 g/mol
Molecular Formula C18H17BrN2O4S
Exact Mass 436.009241 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KpZZRjBjsXx
Name 5-Ethoxycarbonyl-3-(4-bromophenyl)-1-phenylsulfonyl-4,5-dihydropyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17BrN2O4S
InChI InChI=1S/C18H17BrN2O4S/c1-2-25-18(22)17-12-16(13-8-10-14(19)11-9-13)20-21(17)26(23,24)15-6-4-3-5-7-15/h3-11,17H,2,12H2,1H3
InChIKey JZDAQHFHTFMJQG-UHFFFAOYSA-N
Molecular Weight 437.308 g/mol
SMILES C1(=NN(C(C1)C(=O)OCC)S(=O)(=O)c1ccccc1)c1ccc(cc1)Br
SPLASH splash10-00ou-7925300000-b0e96c4e69dd500654c0
Source of Spectrum H1-54-244-8
Synonyms Ethyl 3-(4-bromophenyl)-1-(phenylsulfonyl)-4,5-dihydro-1H-pyrazole-5-carboxylate
Wiley ID 1564231