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1,3-Dioxo-2-m-tolyl-2,3-dihydro-1H-isoindole-5-carboxylic acid 2-(5-tert-butyl-2,3-dimethyl-phenyl)-2-oxo-ethyl ester
SpectraBase Compound ID 69IvTmJ3mqC
InChI InChI=1S/C30H29NO5/c1-17-8-7-9-22(12-17)31-27(33)23-11-10-20(14-25(23)28(31)34)29(35)36-16-26(32)24-15-21(30(4,5)6)13-18(2)19(24)3/h7-15H,16H2,1-6H3
InChIKey OHUHPMFAOXLGGQ-UHFFFAOYSA-N
Mol Weight 483.56 g/mol
Molecular Formula C30H29NO5
Exact Mass 483.204573 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AkAIdYWfLRs
Name 1,3-Dioxo-2-m-tolyl-2,3-dihydro-1H-isoindole-5-carboxylic acid 2-(5-tert-butyl-2,3-dimethyl-phenyl)-2-oxo-ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 483.204573033 u
Formula C30H29NO5
InChI InChI=1S/C30H29NO5/c1-17-8-7-9-22(12-17)31-27(33)23-11-10-20(14-25(23)28(31)34)29(35)36-16-26(32)24-15-21(30(4,5)6)13-18(2)19(24)3/h7-15H,16H2,1-6H3
InChIKey OHUHPMFAOXLGGQ-UHFFFAOYSA-N
Molecular Weight 483.564 g/mol
SMILES CC1=CC(N2C(C3=CC(C(OCC(C4=CC(C(C)(C)C)=CC(=C4C)C)=O)=O)=CC=C3C2=O)=O)=CC=C1