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Ethyl 5-(benzylamino)-3-methyl-1-(phenylsulfonyl)-1H-pyrazole-4-carboxylate
SpectraBase Compound ID L5Hq7yY8NPB
InChI InChI=1S/C20H21N3O4S/c1-3-27-20(24)18-15(2)22-23(28(25,26)17-12-8-5-9-13-17)19(18)21-14-16-10-6-4-7-11-16/h4-13,21H,3,14H2,1-2H3
InChIKey RWRNEPPQPQYAHI-UHFFFAOYSA-N
Mol Weight 399.47 g/mol
Molecular Formula C20H21N3O4S
Exact Mass 399.125277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1YnW3UHImMf
Name Ethyl 5-(benzylamino)-3-methyl-1-(phenylsulfonyl)-1H-pyrazole-4-carboxylate
Alternate Name(s) 1-(benzenesulfonyl)-3-methyl-5-[(phenylmethyl)amino]-4-pyrazolecarboxylic acid ethyl ester Ethyl 1-(benzenesulfonyl)-5-(benzylamino)-3-methylpyrazole-4-carboxylate Ethyl 1-(benzenesulfonyl)-5-(benzylamino)-3-methyl-pyrazole-4-carboxylate Ethyl 3-methyl-5-[(phenylmethyl)amino]-1-(phenylsulfonyl)pyrazole-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21N3O4S
InChI InChI=1S/C20H21N3O4S/c1-3-27-20(24)18-15(2)22-23(28(25,26)17-12-8-5-9-13-17)19(18)21-14-16-10-6-4-7-11-16/h4-13,21H,3,14H2,1-2H3
InChIKey RWRNEPPQPQYAHI-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.20010190213
Molecular Weight 399.465 g/mol
SMILES N(c1c(c(C)n[n]1S(=O)(c1ccccc1)=O)C(OCC)=O)Cc1ccccc1
SPLASH splash10-01ox-9061000000-79c74f9a201a60279ebf
Source of Spectrum CJC-19-187-4g
Wiley ID 1774742