| SpectraBase Compound ID | Hr3cvwZl8M0 |
|---|---|
| InChI | InChI=1S/C15H11NO5/c17-14(11-6-2-1-3-7-11)10-21-15(18)12-8-4-5-9-13(12)16(19)20/h1-9H,10H2 |
| InChIKey | KYJWHERCQGVYKZ-UHFFFAOYSA-N |
| Mol Weight | 285.25 g/mol |
| Molecular Formula | C15H11NO5 |
| Exact Mass | 285.063722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7qESCQuw07Y |
|---|---|
| Name | 2-Nitrobenzoic acid phenacyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.063722453 u |
| Formula | C15H11NO5 |
| InChI | InChI=1S/C15H11NO5/c17-14(11-6-2-1-3-7-11)10-21-15(18)12-8-4-5-9-13(12)16(19)20/h1-9H,10H2 |
| InChIKey | KYJWHERCQGVYKZ-UHFFFAOYSA-N |
| SMILES | C=1(N(=O)=O)C(C(OCC(=O)C2=CC=CC=C2)=O)=CC=CC1 |