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benzenesulfonamide, N-(1,1-dimethylethyl)-2-methyl-5-[4-[[4-(trifluoromethoxy)phenyl]amino]-1-phthalazinyl]-
SpectraBase Compound ID GPYjPUrS5H5
InChI InChI=1S/C26H25F3N4O3S/c1-16-9-10-17(15-22(16)37(34,35)33-25(2,3)4)23-20-7-5-6-8-21(20)24(32-31-23)30-18-11-13-19(14-12-18)36-26(27,28)29/h5-15,33H,1-4H3,(H,30,32)
InChIKey WXVDTVRARACQOE-UHFFFAOYSA-N
Mol Weight 530.57 g/mol
Molecular Formula C26H25F3N4O3S
Exact Mass 530.159946 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HnZJjjVI0bZ
Name N-tert-butyl-2-methyl-5-[4-[4-(trifluoromethoxy)anilino]phthalazin-1-yl]benzenesulfonamide
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Formula C26H25F3N4O3S
InChI InChI=1S/C26H25F3N4O3S/c1-16-9-10-17(15-22(16)37(34,35)33-25(2,3)4)23-20-7-5-6-8-21(20)24(32-31-23)30-18-11-13-19(14-12-18)36-26(27,28)29/h5-15,33H,1-4H3,(H,30,32)
InChIKey WXVDTVRARACQOE-UHFFFAOYSA-N
Molecular Weight 530.566 g/mol
SMILES N(c1nnc(-c2cc(S(NC(C)(C)C)(=O)=O)c(cc2)C)c2c1cccc2)c1ccc(OC(F)(F)F)cc1
SPLASH splash10-003u-9642160000-29b7a7df352f6b02eb5c
Synonyms N-tert-butyl-2-methyl-5-[4-[[4-(trifluoromethyloxy)phenyl]amino]phthalazin-1-yl]benzenesulfonamide
Wiley ID 1462761