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2-[[2-(1-adamantylcarbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione

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

2-[[2-(1-adamantylcarbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione
SpectraBase Compound ID LLY8o0tMo7Z
InChI InChI=1S/C29H30N2O3/c32-26-23-7-3-4-8-24(23)27(33)31(26)17-25-22-6-2-1-5-21(22)9-10-30(25)28(34)29-14-18-11-19(15-29)13-20(12-18)16-29/h1-8,18-20,25H,9-17H2
InChIKey IHFIGTFDWRKXHD-UHFFFAOYSA-N
Mol Weight 454.57 g/mol
Molecular Formula C29H30N2O3
Exact Mass 454.225643 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ddx0asZuxp
Name 2-[[2-(1-Adamantylcarbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]isoindole-1,3-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.225642831 u
Formula C29H30N2O3
InChI InChI=1S/C29H30N2O3/c32-26-23-7-3-4-8-24(23)27(33)31(26)17-25-22-6-2-1-5-21(22)9-10-30(25)28(34)29-14-18-11-19(15-29)13-20(12-18)16-29/h1-8,18-20,25H,9-17H2
InChIKey IHFIGTFDWRKXHD-UHFFFAOYSA-N
Molecular Weight 454.570 g/mol
SMILES C1=CC=C2C(N(C(C34CC5CC(C4)CC(C3)C5)=O)CCC2=C1)CN1C(C2=CC=CC=C2C1=O)=O