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2-[(PHENYLAMINOSULFONYL)-METHYL]-5-[(4',5'-DIHYDRO-3'-PHENYL-5'-PHENYL-ISOXAZOL-4'-YL-SULFONYL)-METHYL]-1,3,4-OXADIAZOLE
SpectraBase Compound ID 8nHNwekp5L1
InChI InChI=1S/C25H22N4O6S2/c30-36(31,16-21-26-27-22(34-21)17-37(32,33)29-20-14-8-3-9-15-20)25-23(18-10-4-1-5-11-18)28-35-24(25)19-12-6-2-7-13-19/h1-15,24-25,29H,16-17H2
InChIKey HCYWPWWZGFLEFQ-UHFFFAOYSA-N
Mol Weight 538.59 g/mol
Molecular Formula C25H22N4O6S2
Exact Mass 538.098077 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KyI7OsDTg90
Name 2-[(PHENYLAMINOSULFONYL)-METHYL]-5-[(4',5'-DIHYDRO-3'-PHENYL-5'-PHENYL-ISOXAZOL-4'-YL-SULFONYL)-METHYL]-1,3,4-OXADIAZOLE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H22N4O6S2
InChI InChI=1S/C25H22N4O6S2/c30-36(31,16-21-26-27-22(34-21)17-37(32,33)29-20-14-8-3-9-15-20)25-23(18-10-4-1-5-11-18)28-35-24(25)19-12-6-2-7-13-19/h1-15,24-25,29H,16-17H2
InChIKey HCYWPWWZGFLEFQ-UHFFFAOYSA-N
Literature Reference Author G.M.REDDY,A.MURALIKRISHNA,V.PADMAVATHI,A.PADMAJA,T.K.TILAK,C .A.RAO
Literature Reference Citation CHEM.PHARM.BULL.,61,1291(2013)
Literature Reference DOI 10.1248/cpb.c13-00652
Molecular Weight 538.593 g/mol
Source File Reference UWIR4210