| SpectraBase Compound ID | 4OKrBco9R9P |
|---|---|
| InChI | InChI=1S/C16H15NO7/c1-10(18)22-9-16(23-11(2)19)15-8-7-14(24-15)12-3-5-13(6-4-12)17(20)21/h3-8,16H,9H2,1-2H3 |
| InChIKey | BZSKXBHVMJJJAN-UHFFFAOYSA-N |
| Mol Weight | 333.3 g/mol |
| Molecular Formula | C16H15NO7 |
| Exact Mass | 333.084852 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2ALYEMMV3VE |
|---|---|
| Name | 1-(5-(4-Nitrophenyl)furan-2-yl)ethane-1,2-diyl diacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.084851820 u |
| Formula | C16H15NO7 |
| InChI | InChI=1S/C16H15NO7/c1-10(18)22-9-16(23-11(2)19)15-8-7-14(24-15)12-3-5-13(6-4-12)17(20)21/h3-8,16H,9H2,1-2H3 |
| InChIKey | BZSKXBHVMJJJAN-UHFFFAOYSA-N |
| Molecular Weight | 333.296 g/mol |
| SMILES | C=1(N(=O)=O)C=CC(C=2OC(C(OC(=O)C)COC(=O)C)=CC2)=CC1 |