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

*Links on SpectraBase are not permalinks.
(-)-(S)-1-chloro-3-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-yl acetate
SpectraBase Compound ID LgAumyYVG81
InChI InChI=1S/C9H12ClN3O4/c1-6-11-4-9(13(15)16)12(6)5-8(3-10)17-7(2)14/h4,8H,3,5H2,1-2H3/t8-/m1/s1
InChIKey UZGLGTONLZJBNR-MRVPVSSYSA-N
Mol Weight 261.66 g/mol
Molecular Formula C9H12ClN3O4
Exact Mass 261.051634 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 LthiPAgiAd
Name (-)-(S)-1-chloro-3-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12ClN3O4
InChI InChI=1S/C9H12ClN3O4/c1-6-11-4-9(13(15)16)12(6)5-8(3-10)17-7(2)14/h4,8H,3,5H2,1-2H3/t8-/m1/s1
InChIKey UZGLGTONLZJBNR-MRVPVSSYSA-N
Literature Reference DOI 10.1002/cjoc.20030210727
Molecular Weight 261.665 g/mol
SMILES C([n]1c(cnc1C)[N+]([O-])=O)[C@](OC(C)=O)(CCl)[H]
SPLASH splash10-00ko-7950000000-31d256ca80138892ab58
Source of Spectrum CJC-21-855-(_)_(S)_4b
Synonyms (S)-1-chloro-3-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-yl acetate Acetic acid [(2S)-1-chloro-3-(2-methyl-5-nitro-1-imidazolyl)propan-2-yl] ester [(2S)-1-chloro-3-(2-methyl-5-nitroimidazol-1-yl)propan-2-yl] acetate [(1S)-1-(chloromethyl)-2-(2-methyl-5-nitro-imidazol-1-yl)ethyl] acetate [(2S)-1-chloranyl-3-(2-methyl-5-nitro-imidazol-1-yl)propan-2-yl] ethanoate
Wiley ID 1773776