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Benzyl 5-(1-isopropyl-1H-imidazol-2-yl)-5-oxo-4-phenylpentanoate

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Benzyl 5-(1-isopropyl-1H-imidazol-2-yl)-5-oxo-4-phenylpentanoate
SpectraBase Compound ID CQz1nYYUr4y
InChI InChI=1S/C24H26N2O3/c1-18(2)26-16-15-25-24(26)23(28)21(20-11-7-4-8-12-20)13-14-22(27)29-17-19-9-5-3-6-10-19/h3-12,15-16,18,21H,13-14,17H2,1-2H3
InChIKey LJQSNYCBVVOUIB-UHFFFAOYSA-N
Mol Weight 390.48 g/mol
Molecular Formula C24H26N2O3
Exact Mass 390.194343 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Aj7Q9MAUksC
Name Benzyl 5-(1-isopropyl-1H-imidazol-2-yl)-5-oxo-4-phenylpentanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.194342702 u
Formula C24H26N2O3
InChI InChI=1S/C24H26N2O3/c1-18(2)26-16-15-25-24(26)23(28)21(20-11-7-4-8-12-20)13-14-22(27)29-17-19-9-5-3-6-10-19/h3-12,15-16,18,21H,13-14,17H2,1-2H3
InChIKey LJQSNYCBVVOUIB-UHFFFAOYSA-N
Molecular Weight 390.483 g/mol
SMILES C(CCC(C(=O)C1=NC=CN1C(C)C)C=1C=CC=CC1)(=O)OCC=1C=CC=CC1