| SpectraBase Compound ID | EPtBpXOdx31 |
|---|---|
| InChI | InChI=1S/C14H10ClNO4/c15-12-3-1-2-10(8-12)9-20-14(17)11-4-6-13(7-5-11)16(18)19/h1-8H,9H2 |
| InChIKey | XHKVHONUELAUPU-UHFFFAOYSA-N |
| Mol Weight | 291.69 g/mol |
| Molecular Formula | C14H10ClNO4 |
| Exact Mass | 291.029836 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CwpvsjJDV0F |
|---|---|
| Name | (3-Chlorophenyl)methyl 4-nitrobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.029835502 u |
| Formula | C14H10ClNO4 |
| InChI | InChI=1S/C14H10ClNO4/c15-12-3-1-2-10(8-12)9-20-14(17)11-4-6-13(7-5-11)16(18)19/h1-8H,9H2 |
| InChIKey | XHKVHONUELAUPU-UHFFFAOYSA-N |
| SMILES | C1(N(=O)=O)=CC=C(C(OCC=2C=C(Cl)C=CC2)=O)C=C1 |