4-Nitrocatechol sulfate
1445
Reference
4-Nitrocatechol sulfate Structure
Systematic / IUPAC Name: 2-Hydroxy-5-nitrophenyl hydrogen sulfate
ID: Reference1445
Other Names: 4-Nitro-1,2-benzenediol, 2-(hydrogen sulfate)
Formula: C6H5NO7S
Spectral Data
4-Nitrocatechol sulfate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Elite |
| No. of Spectral Trees | 1 |
| No. of Spectra | 200 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 12/3/2014 12:59:09 PM |
Identificators
| InChI | InChI=1S/C6H5NO7S/c8-5-2-1-4(7(9)10)3-6(5)14-15(11,12)13/h1-3,8H,(H,11,12,13) |
| InChI Key | XMCCOOONGGUOLA-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC(=C(C=C1[N+](=O)[O-])OS(=O)(=O)O)O |
| CAS | 10485662 |
| Splash | |
| Other Names | 4-Nitro-1,2-benzenediol, 2-(hydrogen sulfate) |