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4-(tert-butyl)-N-((1,3-dioxo-2-(p-tolyl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-epoxyisoindol-4-yl)methyl)benzamide

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4-(tert-butyl)-N-((1,3-dioxo-2-(p-tolyl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-epoxyisoindol-4-yl)methyl)benzamide
SpectraBase Compound ID LDwQ0r49wy6
InChI InChI=1S/C27H28N2O4/c1-16-5-11-19(12-6-16)29-24(31)21-20-13-14-27(33-20,22(21)25(29)32)15-28-23(30)17-7-9-18(10-8-17)26(2,3)4/h5-14,20-22H,15H2,1-4H3,(H,28,30)
InChIKey IBIGVHZNYRWEOW-UHFFFAOYSA-N
Mol Weight 444.53 g/mol
Molecular Formula C27H28N2O4
Exact Mass 444.204907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BG32q11k9BY
Name 4-(Tert-butyl)-N-((1,3-dioxo-2-(p-tolyl)-2,3,3A,4,7,7A-hexahydro-1H-4,7-epoxyisoindol-4-yl)methyl)benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.204907386 u
Formula C27H28N2O4
InChI InChI=1S/C27H28N2O4/c1-16-5-11-19(12-6-16)29-24(31)21-20-13-14-27(33-20,22(21)25(29)32)15-28-23(30)17-7-9-18(10-8-17)26(2,3)4/h5-14,20-22H,15H2,1-4H3,(H,28,30)
InChIKey IBIGVHZNYRWEOW-UHFFFAOYSA-N
Molecular Weight 444.531 g/mol
SMILES N(C(C=1C=CC(C(C)(C)C)=CC1)=O)CC12C3C(C(=O)N(C3=O)C3=CC=C(C=C3)C)C(O2)C=C1