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(E)-Benzyl 5-methyl-7-(1-methyl-1H-imidazol-2-yl)-7-oxo-6-phenylhept-3-enoate
SpectraBase Compound ID E1755CQXJYM
InChI InChI=1S/C25H26N2O3/c1-19(10-9-15-22(28)30-18-20-11-5-3-6-12-20)23(21-13-7-4-8-14-21)24(29)25-26-16-17-27(25)2/h3-14,16-17,19,23H,15,18H2,1-2H3/b10-9+
InChIKey NALZXKSKAHHCQJ-MDZDMXLPSA-N
Mol Weight 402.49 g/mol
Molecular Formula C25H26N2O3
Exact Mass 402.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9cmTh4GVwRy
Name (E)-Benzyl 5-methyl-7-(1-methyl-1H-imidazol-2-yl)-7-oxo-6-phenylhept-3-enoate
Alternate Name(s) benzyl (E)-5-methyl-7-(1-methyl-1H-imidazol-2-yl)-7-oxo-6-phenylhept-3-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26N2O3
InChI InChI=1S/C25H26N2O3/c1-19(10-9-15-22(28)30-18-20-11-5-3-6-12-20)23(21-13-7-4-8-14-21)24(29)25-26-16-17-27(25)2/h3-14,16-17,19,23H,15,18H2,1-2H3/b10-9+
InChIKey NALZXKSKAHHCQJ-MDZDMXLPSA-N
Literature Reference DOI 10.1002/adsc.201600278
Molecular Weight 402.494 g/mol
SMILES C(C\C=C\C(C(C(=O)c1ncc[n]1C)c1ccccc1)C)(=O)OCc1ccccc1
SPLASH splash10-002g-9770300000-33fdeeb898db1fe6c726
Source of Spectrum ASC-358-2477-37
Wiley ID 1798697