| SpectraBase Spectrum ID |
NEekqmcFAS |
| Name |
Metronidazole |
| CAS Registry Number |
443-48-1 |
| Classification |
Pharmaceutical drug, antibiotic |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
171.064391159 u |
| Formula |
C6H9N3O3 |
| InChI |
InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3 |
| InChIKey |
VAOCPAMSLUNLGC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
171.156 g/mol |
| Nominal Mass |
171 u |
| Quality |
943 |
| Retention Index |
1592 |
| SMILES |
OCCN1C([N+](=O)[O-])=CN=C1C |
| SPLASH |
splash10-0fl0-9500000000-c05e7c78bbf5e3a4310c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-(2-Methyl-5-nitro-imidazol-1-yl)ethanol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_014406 |
