| SpectraBase Compound ID | 6HHOrRfB3Yp |
|---|---|
| InChI | InChI=1S/C16H12ClFO4/c1-10(17)15(19)21-13-4-2-3-5-14(13)22-16(20)11-6-8-12(18)9-7-11/h2-10H,1H3 |
| InChIKey | BZSALCGUYMVFKQ-UHFFFAOYSA-N |
| Mol Weight | 322.72 g/mol |
| Molecular Formula | C16H12ClFO4 |
| Exact Mass | 322.040815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AT4qKZ1Fuho |
|---|---|
| Name | 1,2-Benzendiol, o-(2-chloropropionyl)-o'-(4-fluorobenzoyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.040814725 u |
| Formula | C16H12ClFO4 |
| InChI | InChI=1S/C16H12ClFO4/c1-10(17)15(19)21-13-4-2-3-5-14(13)22-16(20)11-6-8-12(18)9-7-11/h2-10H,1H3 |
| InChIKey | BZSALCGUYMVFKQ-UHFFFAOYSA-N |
| Molecular Weight | 322.719 g/mol |
| SMILES | C1(=CC=CC=C1OC(C1=CC=C(C=C1)F)=O)OC(C(C)Cl)=O |