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1H-Indole-1-carboxylic acid, 3-[[3-benzoyl-2-(1,1-dimethylethyl)-1-methyl-5-oxo-4-imidazolidinyl]methyl]-, 1,1-dimethylethyl ester,

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1H-Indole-1-carboxylic acid, 3-[[3-benzoyl-2-(1,1-dimethylethyl)-1-methyl-5-oxo-4-imidazolidinyl]methyl]-, 1,1-dimethylethyl ester,
SpectraBase Compound ID JMdWJj5ns58
InChI InChI=1S/C15H20N2O2.C14H17NO2/c1-15(2,3)14-16(4)12(18)10-17(14)13(19)11-8-6-5-7-9-11;1-10-9-15(13(16)17-14(2,3)4)12-8-6-5-7-11(10)12/h5-9,14H,10H2,1-4H3;5-9H,1-4H3
InChIKey KLAWIMRZPMHCQN-UHFFFAOYSA-N
Mol Weight 491.63 g/mol
Molecular Formula C29H37N3O4
Exact Mass 491.278407 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID kG2mIUKB2j
Name 1H-Indole-1-carboxylic acid, 3-[[3-benzoyl-2-(1,1-dimethylethyl)-1-methyl-5-oxo-4-imidazolidinyl]methyl]-, 1,1-dimethylethyl ester,
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 491.278406679 u
Formula C29H37N3O4
InChI InChI=1S/C15H20N2O2.C14H17NO2/c1-15(2,3)14-16(4)12(18)10-17(14)13(19)11-8-6-5-7-9-11;1-10-9-15(13(16)17-14(2,3)4)12-8-6-5-7-11(10)12/h5-9,14H,10H2,1-4H3;5-9H,1-4H3
InChIKey KLAWIMRZPMHCQN-UHFFFAOYSA-N
Molecular Weight 491.632 g/mol
Nominal Mass 491 u
SMILES CC=1c2c(N(C1)C(=O)OC(C)(C)C)cccc2.C1(=O)N(C(C(C)(C)C)N(C1)C(=O)c1ccccc1)C