| SpectraBase Compound ID | 1wwOpJRROrd |
|---|---|
| InChI | InChI=1S/C16H10N2O8/c19-15(25-13-5-1-11(2-6-13)17(21)22)9-10-16(20)26-14-7-3-12(4-8-14)18(23)24/h1-10H/b10-9+ |
| InChIKey | ZLNCGIAXVWNFRX-MDZDMXLPSA-N |
| Mol Weight | 358.26 g/mol |
| Molecular Formula | C16H10N2O8 |
| Exact Mass | 358.043715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 95DYoxLB7BM |
|---|---|
| Name | Fumaric acid, di(4-nitrophenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.043715282 u |
| Formula | C16H10N2O8 |
| InChI | InChI=1S/C16H10N2O8/c19-15(25-13-5-1-11(2-6-13)17(21)22)9-10-16(20)26-14-7-3-12(4-8-14)18(23)24/h1-10H/b10-9+ |
| InChIKey | ZLNCGIAXVWNFRX-MDZDMXLPSA-N |
| Molecular Weight | 358.262 g/mol |
| SMILES | C(\C=C\C(OC1=CC=C(C=C1)N(=O)=O)=O)(OC1=CC=C(C=C1)N(=O)=O)=O |