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Benzyl 5-(1-methyl-1H-imidazol-2-yl)-5-oxo-4-(3-thienyl)-pentanoate
SpectraBase Compound ID DvBL0HWwYmK
InChI InChI=1S/C20H20N2O3S/c1-22-11-10-21-20(22)19(24)17(16-9-12-26-14-16)7-8-18(23)25-13-15-5-3-2-4-6-15/h2-6,9-12,14,17H,7-8,13H2,1H3
InChIKey ZJNXWTNLZQQSJG-UHFFFAOYSA-N
Mol Weight 368.45 g/mol
Molecular Formula C20H20N2O3S
Exact Mass 368.119464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3bzc2QAWxc
Name Benzyl 5-(1-methyl-1H-imidazol-2-yl)-5-oxo-4-(3-thienyl)-pentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N2O3S
InChI InChI=1S/C20H20N2O3S/c1-22-11-10-21-20(22)19(24)17(16-9-12-26-14-16)7-8-18(23)25-13-15-5-3-2-4-6-15/h2-6,9-12,14,17H,7-8,13H2,1H3
InChIKey ZJNXWTNLZQQSJG-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201600278
Molecular Weight 368.451 g/mol
SMILES C(CCC(C(=O)c1ncc[n]1C)c1cscc1)(=O)OCc1ccccc1
SPLASH splash10-014l-5295000000-e14500d056594581d385
Source of Spectrum ASC-358-2475-15
Synonyms benzyl 5-(1-methyl-1H-imidazol-2-yl)-5-oxo-4-(thiophen-3-yl)pentanoate
Wiley ID 1798684