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Ethyl 5-(benzylamino)-1-(4-bromophenylsulfonyl)-3-methyl-1H-pyrazole-4-carboxylate
SpectraBase Compound ID 314XGCzf1dR
InChI InChI=1S/C20H20BrN3O4S/c1-3-28-20(25)18-14(2)23-24(19(18)22-13-15-7-5-4-6-8-15)29(26,27)17-11-9-16(21)10-12-17/h4-12,22H,3,13H2,1-2H3
InChIKey SRRZFCQKMIPAPL-UHFFFAOYSA-N
Mol Weight 478.36 g/mol
Molecular Formula C20H20BrN3O4S
Exact Mass 477.03579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5cupGSUiwJC
Name Ethyl 5-(benzylamino)-1-(4-bromophenylsulfonyl)-3-methyl-1H-pyrazole-4-carboxylate
Alternate Name(s) Ethyl 5-(benzylamino)-1-((4-bromophenyl)sulfonyl)-3-methyl-1H-pyrazole-4-carboxylate 1-(4-bromophenyl)sulfonyl-3-methyl-5-[(phenylmethyl)amino]-4-pyrazolecarboxylic acid ethyl ester Ethyl 5-(benzylamino)-1-(4-bromophenyl)sulfonyl-3-methylpyrazole-4-carboxylate Ethyl 5-(benzylamino)-1-(4-bromophenyl)sulfonyl-3-methyl-pyrazole-4-carboxylate Ethyl 1-(4-bromophenyl)sulfonyl-3-methyl-5-[(phenylmethyl)amino]pyrazole-4-carboxylate
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Formula C20H20BrN3O4S
InChI InChI=1S/C20H20BrN3O4S/c1-3-28-20(25)18-14(2)23-24(19(18)22-13-15-7-5-4-6-8-15)29(26,27)17-11-9-16(21)10-12-17/h4-12,22H,3,13H2,1-2H3
InChIKey SRRZFCQKMIPAPL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.20010190213
Molecular Weight 478.361 g/mol
SMILES N(c1c(C(OCC)=O)c(C)n[n]1S(=O)(c1ccc(cc1)Br)=O)Cc1ccccc1
SPLASH splash10-01ox-9060100000-e56c6c739fc3fab40594
Source of Spectrum CJC-19-186-4e
Wiley ID 1774741