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N-(Tert-butyl)-2-(4-methylbenzyl)-3-oxoisoindoline-1-carboxamide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

N-(Tert-butyl)-2-(4-methylbenzyl)-3-oxoisoindoline-1-carboxamide
SpectraBase Compound ID 1PnZb72jEDH
InChI InChI=1S/C21H24N2O2/c1-14-9-11-15(12-10-14)13-23-18(19(24)22-21(2,3)4)16-7-5-6-8-17(16)20(23)25/h5-12,18H,13H2,1-4H3,(H,22,24)
InChIKey NTNHEWWSTIZCNM-UHFFFAOYSA-N
Mol Weight 336.44 g/mol
Molecular Formula C21H24N2O2
Exact Mass 336.183778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Lhz66Vx1Bo
Name N-(Tert-butyl)-2-(4-methylbenzyl)-3-oxoisoindoline-1-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.183778019 u
Formula C21H24N2O2
InChI InChI=1S/C21H24N2O2/c1-14-9-11-15(12-10-14)13-23-18(19(24)22-21(2,3)4)16-7-5-6-8-17(16)20(23)25/h5-12,18H,13H2,1-4H3,(H,22,24)
InChIKey NTNHEWWSTIZCNM-UHFFFAOYSA-N
Molecular Weight 336.435 g/mol
SMILES C1(N(C(C=2C=CC=CC12)=O)CC=1C=CC(=CC1)C)C(=O)NC(C)(C)C