| SpectraBase Compound ID | IgsFP55PrNi |
|---|---|
| InChI | InChI=1S/C16H15ClN2O3/c1-10(2)11-3-5-12(6-4-11)18-16(20)14-8-7-13(19(21)22)9-15(14)17/h3-10H,1-2H3,(H,18,20) |
| InChIKey | RPWJVOUIDNHTMM-UHFFFAOYSA-N |
| Mol Weight | 318.76 g/mol |
| Molecular Formula | C16H15ClN2O3 |
| Exact Mass | 318.07712 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1yAi0C54k2 |
|---|---|
| Name | N-(4-Isopropylphenyl)-2-chloro-4-nitrobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.077120048 u |
| Formula | C16H15ClN2O3 |
| InChI | InChI=1S/C16H15ClN2O3/c1-10(2)11-3-5-12(6-4-11)18-16(20)14-8-7-13(19(21)22)9-15(14)17/h3-10H,1-2H3,(H,18,20) |
| InChIKey | RPWJVOUIDNHTMM-UHFFFAOYSA-N |
| Molecular Weight | 318.760 g/mol |
| SMILES | N(C(c1ccc(N(=O)=O)cc1Cl)=O)c1ccc(cc1)C(C)C |