| SpectraBase Compound ID | BOC3X882NaE |
|---|---|
| InChI | InChI=1S/C7H5NO5/c9-7(13-12)5-1-3-6(4-2-5)8(10)11/h1-4,12H |
| InChIKey | ZJAFQAPHWPSKRZ-UHFFFAOYSA-N |
| Mol Weight | 183.12 g/mol |
| Molecular Formula | C7H5NO5 |
| Exact Mass | 183.016772 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8e3J80lLmXD |
|---|---|
| Name | p-Nitroperoxybenzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 183.016772260 u |
| Formula | C7H5NO5 |
| InChI | InChI=1S/C7H5NO5/c9-7(13-12)5-1-3-6(4-2-5)8(10)11/h1-4,12H |
| InChIKey | ZJAFQAPHWPSKRZ-UHFFFAOYSA-N |
| Molecular Weight | 183.119 g/mol |
| SMILES | OOC(C1=CC=C(C=C1)N(=O)=O)=O |