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5-Amino-1-(3-chloro-2-hydroxypropyl)-2-methyl-4-nitroimidazole
SpectraBase Compound ID BL4Gzj8YQC5
InChI InChI=1S/C7H11ClN4O3/c1-4-10-7(12(14)15)6(9)11(4)3-5(13)2-8/h5,13H,2-3,9H2,1H3
InChIKey DFXSTZXZQXXQPQ-UHFFFAOYSA-N
Mol Weight 234.64 g/mol
Molecular Formula C7H11ClN4O3
Exact Mass 234.051968 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EheLxbMBTJp
Name 5-Amino-1-(3-chloro-2-hydroxypropyl)-2-methyl-4-nitroimidazole
Alternate Name(s) 1-(5-amino-2-methyl-4-nitro-1-imidazolyl)-3-chloro-2-propanol 1-(5-amino-2-methyl-4-nitroimidazol-1-yl)-3-chloropropan-2-ol 1-(5-azanyl-2-methyl-4-nitro-imidazol-1-yl)-3-chloranyl-propan-2-ol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11ClN4O3
InChI InChI=1S/C7H11ClN4O3/c1-4-10-7(12(14)15)6(9)11(4)3-5(13)2-8/h5,13H,2-3,9H2,1H3
InChIKey DFXSTZXZQXXQPQ-UHFFFAOYSA-N
Molecular Weight 234.643 g/mol
SMILES Nc1[n](CC(O)CCl)c(nc1N(=O)=O)C
SPLASH splash10-0a4i-9060000000-4b5150d73a5ecbc94304
Source of Spectrum Y-47-1053-27
Wiley ID 1667382