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3-[N-Phthaloyl-4-aminobenzoyl]-6-methoxy-2-(4-methoxyphenyl)benzo[b]thiophene
SpectraBase Compound ID 3OwpCXEZU0I
InChI InChI=1S/C31H21NO5S/c1-36-21-13-9-19(10-14-21)29-27(25-16-15-22(37-2)17-26(25)38-29)28(33)18-7-11-20(12-8-18)32-30(34)23-5-3-4-6-24(23)31(32)35/h3-17H,1-2H3
InChIKey OZAGPLXZUNEFQV-UHFFFAOYSA-N
Mol Weight 519.57 g/mol
Molecular Formula C31H21NO5S
Exact Mass 519.114044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1X145lEaH3D
Name 3-[N-Phthaloyl-4-aminobenzoyl]-6-methoxy-2-(4-methoxyphenyl)benzo[b]thiophene
Alternate Name(s) 2-(4-{[6-methoxy-2-(4-methoxyphenyl)-1-benzothien-3-yl]carbonyl}phenyl)-1H-isoindole-1,3(2H)-dione
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Formula C31H21NO5S
InChI InChI=1S/C31H21NO5S/c1-36-21-13-9-19(10-14-21)29-27(25-16-15-22(37-2)17-26(25)38-29)28(33)18-7-11-20(12-8-18)32-30(34)23-5-3-4-6-24(23)31(32)35/h3-17H,1-2H3
InChIKey OZAGPLXZUNEFQV-UHFFFAOYSA-N
Molecular Weight 519.571 g/mol
SMILES C1(N(C(c2ccccc12)=O)c1ccc(C(c2c(sc3c2ccc(OC)c3)-c2ccc(cc2)OC)=O)cc1)=O
SPLASH splash10-014i-0020090000-170ad9497030b958d454
Source of Spectrum J-56-3130-6
Wiley ID 1401845