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1,3-BIS-(1,2,3-1H-BENZOTRIAZOL-1-YL)-2-(PARA-METHOXYCARBONYLPHENYL)-ISOINDOLINE

View entire compound with spectra: 2 NMR, and 2 MS (GC)

1,3-BIS-(1,2,3-1H-BENZOTRIAZOL-1-YL)-2-(PARA-METHOXYCARBONYLPHENYL)-ISOINDOLINE
SpectraBase Compound ID INo90dEjvSO
InChI InChI=1S/C28H21N7O2/c1-37-28(36)18-14-16-19(17-15-18)33-26(34-24-12-6-4-10-22(24)29-31-34)20-8-2-3-9-21(20)27(33)35-25-13-7-5-11-23(25)30-32-35/h2-17,26-27H,1H3
InChIKey AEBULGJPFSMZKD-UHFFFAOYSA-N
Mol Weight 487.52 g/mol
Molecular Formula C28H21N7O2
Exact Mass 487.175673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LHR4Ural3Sk
Name 4-[1,3-bis(1-benzotriazolyl)-1,3-dihydroisoindol-2-yl]benzoic acid methyl ester
Alternate Name(s) 4-[1,3-bis(benzotriazol-1-yl)isoindolin-2-yl]benzoic acid methyl ester Methyl 4-[1,3-bis(benzotriazol-1-yl)-1,3-dihydroisoindol-2-yl]benzoate Methyl 4-[1,3-bis(benzotriazol-1-yl)isoindolin-2-yl]benzoate
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Formula C28H21N7O2
InChI InChI=1S/C28H21N7O2/c1-37-28(36)18-14-16-19(17-15-18)33-26(34-24-12-6-4-10-22(24)29-31-34)20-8-2-3-9-21(20)27(33)35-25-13-7-5-11-23(25)30-32-35/h2-17,26-27H,1H3
InChIKey AEBULGJPFSMZKD-UHFFFAOYSA-N
Molecular Weight 487.523 g/mol
SMILES C1([n]2nnc3c2cccc3)N(C([n]2nnc3c2cccc3)c2c1cccc2)c1ccc(C(=O)OC)cc1
SPLASH splash10-0006-0339000000-247612a59ad044c4f2a4
Source of Spectrum H1-43-83-4
Wiley ID 757692