| SpectraBase Compound ID | CVLPcsAph4S |
|---|---|
| InChI | InChI=1S/C4H4N4O5/c9-7(10)4-3(5-2-6-4)1-13-8(11)12/h2H,1H2,(H,5,6) |
| InChIKey | ULZDUAFXATUPCS-UHFFFAOYSA-N |
| Mol Weight | 188.1 g/mol |
| Molecular Formula | C4H4N4O5 |
| Exact Mass | 188.018169 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IiDVWApsAxV |
|---|---|
| Name | (5(4)-Nitroimidazol-4(5)-yl)-methylnitrate |
| CAS Registry Number | 81246-36-8 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C4H4N4O5 |
| InChI | InChI=1S/C4H4N4O5/c9-7(10)4-3(5-2-6-4)1-13-8(11)12/h2H,1H2,(H,5,6) |
| InChIKey | ULZDUAFXATUPCS-UHFFFAOYSA-N |
| Instrument Name | SF = 080 MHz |
| Literature Reference | J. Org. Chem. 47, 2661 (1982). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | DMSO-D6 |