| SpectraBase Compound ID | Ie1TJsyKw7H |
|---|---|
| InChI | InChI=1S/C13H9NO5/c15-13(18-11-4-2-1-3-5-11)19-12-8-6-10(7-9-12)14(16)17/h1-9H |
| InChIKey | IICMBPLBSCZBTN-UHFFFAOYSA-N |
| Mol Weight | 259.22 g/mol |
| Molecular Formula | C13H9NO5 |
| Exact Mass | 259.048072 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HtjDr4bNvUc |
|---|---|
| Name | Carbonic acid, 4-nitrophenyl phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.048072389 u |
| Formula | C13H9NO5 |
| InChI | InChI=1S/C13H9NO5/c15-13(18-11-4-2-1-3-5-11)19-12-8-6-10(7-9-12)14(16)17/h1-9H |
| InChIKey | IICMBPLBSCZBTN-UHFFFAOYSA-N |
| Molecular Weight | 259.217 g/mol |
| SMILES | C(OC1=CC=C(C=C1)N(=O)=O)(OC1=CC=CC=C1)=O |