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2-(PARA-METHYL-PHENYLAMINOSULFONYLMETHYL)-5-(4'-PARA-METHYL-PHENYL-1'H-PYRROL-3'-YL-SULFONYL-METHYL)-1,3,4-THIADIAZOLE
SpectraBase Compound ID 3kDhR3oXvtt
InChI InChI=1S/C22H22N4O4S3/c1-15-3-7-17(8-4-15)19-11-23-12-20(19)32(27,28)13-21-24-25-22(31-21)14-33(29,30)26-18-9-5-16(2)6-10-18/h3-12,23,26H,13-14H2,1-2H3
InChIKey NEFHDSDANFZAIB-UHFFFAOYSA-N
Mol Weight 502.62 g/mol
Molecular Formula C22H22N4O4S3
Exact Mass 502.080319 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KmqNkgZrxMg
Name 2-(PARA-METHYL-PHENYLAMINOSULFONYLMETHYL)-5-(4'-PARA-METHYL-PHENYL-1'H-PYRROL-3'-YL-SULFONYL-METHYL)-1,3,4-THIADIAZOLE
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22N4O4S3
InChI InChI=1S/C22H22N4O4S3/c1-15-3-7-17(8-4-15)19-11-23-12-20(19)32(27,28)13-21-24-25-22(31-21)14-33(29,30)26-18-9-5-16(2)6-10-18/h3-12,23,26H,13-14H2,1-2H3
InChIKey NEFHDSDANFZAIB-UHFFFAOYSA-N
Literature Reference Author A.PADMAJA,A.MURALIKRISHNA,C.RAJASEKHAR,V.PADMAVATHI
Literature Reference Citation CHEM.PHARM.BULL.,59,1509(2011)
Literature Reference DOI 10.1248/cpb.59.1509
Molecular Weight 502.621 g/mol
Source File Reference UWIR3755