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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, (2S-trans)-

View entire compound with spectra: 1 NMR, and 2 MS (GC)

1H-Indole-1-carboxylic acid, 3-[[3-benzoyl-2-(1,1-dimethylethyl)-1-methyl-5-oxo-4-imidazolidinyl]methyl]-, 1,1-dimethylethyl ester, (2S-trans)-
SpectraBase Compound ID BxamDVdqq3s
InChI InChI=1S/C29H35N3O4/c1-28(2,3)26-30(7)25(34)23(32(26)24(33)19-13-9-8-10-14-19)17-20-18-31(27(35)36-29(4,5)6)22-16-12-11-15-21(20)22/h8-16,18,23,26H,17H2,1-7H3
InChIKey WOXQQEYOKVWIBG-UHFFFAOYSA-N
Mol Weight 489.6 g/mol
Molecular Formula C29H35N3O4
Exact Mass 489.262757 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AyQ5esuXg1h
Name 1H-Indole-1-carboxylic acid, 3-[[3-benzoyl-2-(1,1-dimethylethyl)-1-methyl-5-oxo-4-imidazolidinyl]methyl]-, 1,1-dimethylethyl ester, (2S-trans)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 489.262756615 u
Formula C29H35N3O4
InChI InChI=1S/C29H35N3O4/c1-28(2,3)26-30(7)25(34)23(32(26)24(33)19-13-9-8-10-14-19)17-20-18-31(27(35)36-29(4,5)6)22-16-12-11-15-21(20)22/h8-16,18,23,26H,17H2,1-7H3
InChIKey WOXQQEYOKVWIBG-UHFFFAOYSA-N
Molecular Weight 489.616 g/mol
SMILES CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1)C[C@]1(N(C(C=2C=CC=CC2)=O)[C@](C(C)(C)C)(N(C)C1=O)[H])[H]