| SpectraBase Compound ID | Ei9Lau9nbtl |
|---|---|
| InChI | InChI=1S/C13H10ClNO3/c1-9-8-12(6-7-13(9)14)18-11-4-2-10(3-5-11)15(16)17/h2-8H,1H3 |
| InChIKey | MNBIAOIXTNGEQR-UHFFFAOYSA-N |
| Mol Weight | 263.68 g/mol |
| Molecular Formula | C13H10ClNO3 |
| Exact Mass | 263.034921 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9C8SFXRCJBR |
|---|---|
| Name | Ether, 4-chloro-m-tolyl p-nitro- phenyl, |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.034920883 u |
| Formula | C13H10ClNO3 |
| InChI | InChI=1S/C13H10ClNO3/c1-9-8-12(6-7-13(9)14)18-11-4-2-10(3-5-11)15(16)17/h2-8H,1H3 |
| InChIKey | MNBIAOIXTNGEQR-UHFFFAOYSA-N |
| Molecular Weight | 263.680 g/mol |
| SMILES | N(=O)(=O)C=1C=CC(OC2=CC(C)=C(Cl)C=C2)=CC1 |