SpectraBase Spectrum ID |
2mr8RUjV8ro |
Name |
Metronidazole AC |
Classification |
Pharmaceutical drug derivative |
Comments |
Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
213.074955842 u |
Formula |
C8H11N3O4 |
InChI |
InChI=1S/C8H11N3O4/c1-6-9-5-8(11(13)14)10(6)3-4-15-7(2)12/h5H,3-4H2,1-2H3 |
InChIKey |
MQXDTGGRMOLAPU-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
213.193 g/mol |
Nominal Mass |
213 u |
Quality |
878 |
Retention Index |
1715 |
SMILES |
C=1(N(C(=NC1)C)CCOC(=O)C)[N+](=O)[O-] |
SPLASH |
splash10-000i-9810000000-7d35ab25706f2edf6bba |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl acetate |
Technique |
GC/MS |
Wiley ID |
DD2024_006167 |