| SpectraBase Compound ID | Gk6znv1gX1p |
|---|---|
| InChI | InChI=1S/C12H5N5O11/c18-13(19)6-1-2-11(8(3-6)15(22)23)28-12-9(16(24)25)4-7(14(20)21)5-10(12)17(26)27/h1-5H |
| InChIKey | UCAHGXFXBRSTPX-UHFFFAOYSA-N |
| Mol Weight | 395.2 g/mol |
| Molecular Formula | C12H5N5O11 |
| Exact Mass | 394.998556 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FpqBIfTSxhu |
|---|---|
| Name | Diphenyl ether, 2,4,6,2',4'-pentanitro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.998555990 u |
| Formula | C12H5N5O11 |
| InChI | InChI=1S/C12H5N5O11/c18-13(19)6-1-2-11(8(3-6)15(22)23)28-12-9(16(24)25)4-7(14(20)21)5-10(12)17(26)27/h1-5H |
| InChIKey | UCAHGXFXBRSTPX-UHFFFAOYSA-N |
| Molecular Weight | 395.196 g/mol |
| SMILES | C1=C(C(=C(C=C1N(=O)=O)N(=O)=O)OC1=C(C=C(C=C1)N(=O)=O)N(=O)=O)N(=O)=O |