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2-(PARA-METHYL-PHENYLAMINOSULFONYLMETHYL)-5-[(Z)-(PARA-METHYL-STYRYLSULFONYLMETHYL)]-1,3,4-THIADIAZOLE
SpectraBase Compound ID Cqyd5mA5tmF
InChI InChI=1S/C20H21N3O4S3/c1-15-3-7-17(8-4-15)11-12-29(24,25)13-19-21-22-20(28-19)14-30(26,27)23-18-9-5-16(2)6-10-18/h3-12,23H,13-14H2,1-2H3/b12-11-
InChIKey SXPSOGDECLEHCR-QXMHVHEDSA-N
Mol Weight 463.59 g/mol
Molecular Formula C20H21N3O4S3
Exact Mass 463.06942 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GBAeNMAAuiF
Name 2-(PARA-METHYL-PHENYLAMINOSULFONYLMETHYL)-5-[(Z)-(PARA-METHYL-STYRYLSULFONYLMETHYL)]-1,3,4-THIADIAZOLE
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H21N3O4S3
InChI InChI=1S/C20H21N3O4S3/c1-15-3-7-17(8-4-15)11-12-29(24,25)13-19-21-22-20(28-19)14-30(26,27)23-18-9-5-16(2)6-10-18/h3-12,23H,13-14H2,1-2H3/b12-11-
InChIKey SXPSOGDECLEHCR-QXMHVHEDSA-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 463.584 g/mol
Source File Reference UWIR3746