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METHYL-3-(4',5'-DIHYDRO-4'-PHENYL-1H-PYRAZOL-3'-YLSULFONYL)-4-(PARA-CHLOROPHENYL)-3H-PYRROLE-3-CARBOXYLATE
SpectraBase Compound ID HFRRVeKtrHZ
InChI InChI=1S/C21H18ClN3O4S/c1-29-20(26)21(13-23-12-18(21)15-7-9-16(22)10-8-15)30(27,28)19-17(11-24-25-19)14-5-3-2-4-6-14/h2-10,12-13,17,24H,11H2,1H3/t17-,21?/m1/s1
InChIKey OXOZBIZCWZUPJQ-OQHSHRKDSA-N
Mol Weight 443.91 g/mol
Molecular Formula C21H18ClN3O4S
Exact Mass 443.070655 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AcSKLPtHk6P
Name METHYL-3-(4',5'-DIHYDRO-4'-PHENYL-1H-PYRAZOL-3'-YLSULFONYL)-4-(PARA-CHLOROPHENYL)-3H-PYRROLE-3-CARBOXYLATE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18ClN3O4S
InChI InChI=1S/C21H18ClN3O4S/c1-29-20(26)21(13-23-12-18(21)15-7-9-16(22)10-8-15)30(27,28)19-17(11-24-25-19)14-5-3-2-4-6-14/h2-10,12-13,17,24H,11H2,1H3/t17-,21?/m1/s1
InChIKey OXOZBIZCWZUPJQ-OQHSHRKDSA-N
Literature Reference Author V.PADMAVATHI,T.R.LAKSHMI,K.MAHESH,A.PADMAJA
Literature Reference Citation CHEM.PHARM.BULL.,57,1200(2009)
Literature Reference DOI 10.1248/cpb.57.1200
Molecular Weight 443.905 g/mol
Sample ID 3145
Solvent CDCl3