| SpectraBase Compound ID | JRvHE7xouxa |
|---|---|
| InChI | InChI=1S/C15H12ClNO4/c16-12-7-8-14(13(10-12)17(19)20)21-15(18)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2 |
| InChIKey | CDPHVJXFFICCOV-UHFFFAOYSA-N |
| Mol Weight | 305.72 g/mol |
| Molecular Formula | C15H12ClNO4 |
| Exact Mass | 305.045486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BqFsSiMzinr |
|---|---|
| Name | 4-Chloro-2-nitrophenyl-.beta.-phenylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.045485566 u |
| Formula | C15H12ClNO4 |
| InChI | InChI=1S/C15H12ClNO4/c16-12-7-8-14(13(10-12)17(19)20)21-15(18)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2 |
| InChIKey | CDPHVJXFFICCOV-UHFFFAOYSA-N |
| Molecular Weight | 305.717 g/mol |
| SMILES | C1=C(C=CC=C1)CCC(=O)OC1=CC=C(C=C1N(=O)=O)Cl |