| SpectraBase Spectrum ID |
DmYwWhByHx2 |
| Name |
Nitrofurantoin |
| CAS Registry Number |
67-20-9 |
| Classification |
Pharmaceutical drug, antibacterial (urinary) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
238.033819304 u |
| Formula |
C8H6N4O5 |
| InChI |
InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3+ |
| InChIKey |
NXFQHRVNIOXGAQ-YCRREMRBSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
238.159 g/mol |
| Nominal Mass |
238 u |
| Quality |
963 |
| Retention Index |
2039 |
| SMILES |
C1(N(CC(N1)=O)\N=C\C=1OC(=CC1)[N+](=O)[O-])=O |
| SPLASH |
splash10-0udi-9600000000-7660c81769259b1524e7 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-[(5-Nitro-2-furyl)methylideneamino]imidazolidine-2,4-dione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003245 |
