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Meso-2-benzyl-1,3-dimethyl-1,3-diphenylisoindoline
SpectraBase Compound ID DK60EpTYQ29
InChI InChI=1S/C29H27N/c1-28(24-16-8-4-9-17-24)26-20-12-13-21-27(26)29(2,25-18-10-5-11-19-25)30(28)22-23-14-6-3-7-15-23/h3-21H,22H2,1-2H3/t28-,29+
InChIKey FUCHATYEIGLHFC-ISILISOKSA-N
Mol Weight 389.54 g/mol
Molecular Formula C29H27N
Exact Mass 389.21435 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4207w1fhJTD
Name Meso-2-benzyl-1,3-dimethyl-1,3-diphenylisoindoline
Comments Computed using HOSE algorithm
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Exact Mass 389.214349873 u
Formula C29H27N
InChI InChI=1S/C29H27N/c1-28(24-16-8-4-9-17-24)26-20-12-13-21-27(26)29(2,25-18-10-5-11-19-25)30(28)22-23-14-6-3-7-15-23/h3-21H,22H2,1-2H3/t28-,29+
InChIKey FUCHATYEIGLHFC-ISILISOKSA-N
Molecular Weight 389.542 g/mol
SMILES [C@]1(N([C@](C2=CC=CC=C12)(C1=CC=CC=C1)C)CC1=CC=CC=C1)(C1=CC=CC=C1)C