For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-nitrobenzoate
SpectraBase Compound ID DM5QROpLX6
InChI InChI=1S/C13H12N4O6/c1-9-14-8-12(17(21)22)15(9)6-7-23-13(18)10-2-4-11(5-3-10)16(19)20/h2-5,8H,6-7H2,1H3
InChIKey SUOFRVXYTWIPIL-UHFFFAOYSA-N
Mol Weight 320.26 g/mol
Molecular Formula C13H12N4O6
Exact Mass 320.075684 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LL3eWQgwhWw
Name 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-nitrobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N4O6
InChI InChI=1S/C13H12N4O6/c1-9-14-8-12(17(21)22)15(9)6-7-23-13(18)10-2-4-11(5-3-10)16(19)20/h2-5,8H,6-7H2,1H3
InChIKey SUOFRVXYTWIPIL-UHFFFAOYSA-N
Molecular Weight 320.261 g/mol
SMILES c1(ccc([N+](=O)[O-])cc1)C(OCC[n]1c([N+](=O)[O-])cnc1C)=O
SPLASH splash10-0udl-6910000000-89a1a5344d96b44c2220
Source of Spectrum Uzma Salar, et al. European Journal of Medicinal Chemistry, V.125, 2017, P.1289-1299
Wiley ID 1816766