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

*Links on SpectraBase are not permalinks.
1-(3-Chloro-2-oxopropyl)-4,5-dinitroimidazole
SpectraBase Compound ID DDrXUZ39WON
InChI InChI=1S/C6H5ClN4O5/c7-1-4(12)2-9-3-8-5(10(13)14)6(9)11(15)16/h3H,1-2H2
InChIKey OVYKTMRJQNRAGJ-UHFFFAOYSA-N
Mol Weight 248.58 g/mol
Molecular Formula C6H5ClN4O5
Exact Mass 247.994847 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 Hws9ET6KJ0o
Name 1-(3-Chloro-2-oxopropyl)-4,5-dinitroimidazole
Alternate Name(s) 1-Chloro-3-(4,5-dinitro-1-imidazolyl)-2-propanone 1-Chloro-3-(4,5-dinitroimidazol-1-yl)propan-2-one 1-Chloranyl-3-(4,5-dinitroimidazol-1-yl)propan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H5ClN4O5
InChI InChI=1S/C6H5ClN4O5/c7-1-4(12)2-9-3-8-5(10(13)14)6(9)11(15)16/h3H,1-2H2
InChIKey OVYKTMRJQNRAGJ-UHFFFAOYSA-N
Molecular Weight 248.582 g/mol
SMILES c1nc(c([n]1CC(CCl)=O)N(=O)=O)N(=O)=O
SPLASH splash10-004i-9510000000-27a43743b21fd55b7e21
Source of Spectrum F2-44-649-11
Wiley ID 1716301