| SpectraBase Compound ID | LP2Mv9WFzlb |
|---|---|
| InChI | InChI=1S/C12H10N2O8/c15-11-2-1-10(22-11)6-21-12(16)7-3-8(13(17)18)5-9(4-7)14(19)20/h3-5,10H,1-2,6H2 |
| InChIKey | KKUQEPIBFSPVDC-UHFFFAOYSA-N |
| Mol Weight | 310.22 g/mol |
| Molecular Formula | C12H10N2O8 |
| Exact Mass | 310.043715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KENBEIvH4XC |
|---|---|
| Name | 3,5-Dinitrobenzoic acid, tetrahydrofuran-2-on-5-ylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.043715282 u |
| Formula | C12H10N2O8 |
| InChI | InChI=1S/C12H10N2O8/c15-11-2-1-10(22-11)6-21-12(16)7-3-8(13(17)18)5-9(4-7)14(19)20/h3-5,10H,1-2,6H2 |
| InChIKey | KKUQEPIBFSPVDC-UHFFFAOYSA-N |
| Molecular Weight | 310.218 g/mol |
| SMILES | C(=O)(OCC1OC(=O)CC1)C1=CC(N(=O)=O)=CC(=C1)N(=O)=O |