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3-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-3-phenyl-1-isobenzofuranone
SpectraBase Compound ID Gu5KRnlZw15
InChI InChI=1S/C28H20N2O2S/c1-18-11-16-24-25(17-18)33-26(29-24)19-12-14-21(15-13-19)30-28(20-7-3-2-4-8-20)23-10-6-5-9-22(23)27(31)32-28/h2-17,30H,1H3
InChIKey QPHKJBRWOBGBEA-UHFFFAOYSA-N
Mol Weight 448.54 g/mol
Molecular Formula C28H20N2O2S
Exact Mass 448.124549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8OPKVGu3mDd
Name 3-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-3-phenyl-1-isobenzofuranone
Alternate Name(s) 3-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-3-phenyl-2-benzofuran-1-one 3-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-3-phenyl-isobenzofuran-1-one 3-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-3-phenyl-phthalide 3-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-3-phenyl-2-benzofuran-1-one
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Formula C28H20N2O2S
InChI InChI=1S/C28H20N2O2S/c1-18-11-16-24-25(17-18)33-26(29-24)19-12-14-21(15-13-19)30-28(20-7-3-2-4-8-20)23-10-6-5-9-22(23)27(31)32-28/h2-17,30H,1H3
InChIKey QPHKJBRWOBGBEA-UHFFFAOYSA-N
Molecular Weight 448.540 g/mol
SMILES N(c1ccc(cc1)-c1nc2ccc(cc2s1)C)C1(OC(c2c1cccc2)=O)c1ccccc1
SPLASH splash10-0a4i-1290000000-e0281853fe23c3f513cf
Wiley ID 1455159