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2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-butoxybenzoate
SpectraBase Compound ID 18VEryG6MDq
InChI InChI=1S/C17H21N3O5/c1-3-4-10-24-15-7-5-14(6-8-15)17(21)25-11-9-19-13(2)18-12-16(19)20(22)23/h5-8,12H,3-4,9-11H2,1-2H3
InChIKey CKKLOIOBFASINP-UHFFFAOYSA-N
Mol Weight 347.37 g/mol
Molecular Formula C17H21N3O5
Exact Mass 347.148121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BMShWpeQ93q
Name 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-butoxybenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21N3O5
InChI InChI=1S/C17H21N3O5/c1-3-4-10-24-15-7-5-14(6-8-15)17(21)25-11-9-19-13(2)18-12-16(19)20(22)23/h5-8,12H,3-4,9-11H2,1-2H3
InChIKey CKKLOIOBFASINP-UHFFFAOYSA-N
Molecular Weight 347.371 g/mol
SMILES c1(ccc(cc1)OCCCC)C(OCC[n]1c([N+](=O)[O-])cnc1C)=O
SPLASH splash10-0fmi-2912000000-02919c544e401d66a571
Source of Spectrum Uzma Salar, et al. European Journal of Medicinal Chemistry, V.125, 2017, P.1289-1299
Wiley ID 1816756