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2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl (E)-3-(4-methoxyphenyl)acrylate
SpectraBase Compound ID HpAfxqhZYQ5
InChI InChI=1S/C16H17N3O5/c1-12-17-11-15(19(21)22)18(12)9-10-24-16(20)8-5-13-3-6-14(23-2)7-4-13/h3-8,11H,9-10H2,1-2H3/b8-5+
InChIKey BUHRXTFCHFVRAR-VMPITWQZSA-N
Mol Weight 331.33 g/mol
Molecular Formula C16H17N3O5
Exact Mass 331.116821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Add9X2nxXKf
Name 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl (E)-3-(4-methoxyphenyl)acrylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17N3O5
InChI InChI=1S/C16H17N3O5/c1-12-17-11-15(19(21)22)18(12)9-10-24-16(20)8-5-13-3-6-14(23-2)7-4-13/h3-8,11H,9-10H2,1-2H3/b8-5+
InChIKey BUHRXTFCHFVRAR-VMPITWQZSA-N
Molecular Weight 331.328 g/mol
SMILES c1(ccc(OC)cc1)\C=C\C(OCC[n]1c([N+](=O)[O-])cnc1C)=O
SPLASH splash10-03gr-6920000000-9ae6135a92ef18702889
Source of Spectrum Uzma Salar, et al. European Journal of Medicinal Chemistry, V.125, 2017, P.1289-1299
Wiley ID 1816752