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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5oIEwBfjLRd
Name 1,3-BIS-(1,2,3-1H-BENZOTRIAZOL-1-YL)-2-(PARA-METHOXYCARBONYLPHENYL)-ISOINDOLINE
Compound Number 4AJ
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
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
Literature Reference Author I.TAKAHASHI,M.TSUZUKI,H.YOKOTA,T.MORITA,H.KITAJIMA,K.ISA
Literature Reference Citation HETEROCYCLES,43,71(1996)
Literature Reference DOI 10.3987/COM-95-7219
Molecular Weight 487.520 g/mol
Solvent CDCl3
Source File Reference UWCS20466