| SpectraBase Compound ID | H3FS0T84gnT |
|---|---|
| InChI | InChI=1S/C13H8ClNO4/c14-11-3-1-2-4-12(11)19-13(16)9-5-7-10(8-6-9)15(17)18/h1-8H |
| InChIKey | OFIWZIJKZNBSHV-UHFFFAOYSA-N |
| Mol Weight | 277.66 g/mol |
| Molecular Formula | C13H8ClNO4 |
| Exact Mass | 277.014185 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JWrdxWdq0A8 |
|---|---|
| Name | 4-Nitrobenzoic acid, 2-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.014185438 u |
| Formula | C13H8ClNO4 |
| InChI | InChI=1S/C13H8ClNO4/c14-11-3-1-2-4-12(11)19-13(16)9-5-7-10(8-6-9)15(17)18/h1-8H |
| InChIKey | OFIWZIJKZNBSHV-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C=C1)C(OC1=CC=CC=C1Cl)=O)N(=O)=O |