| SpectraBase Compound ID | 9f5wkcHnECM |
|---|---|
| InChI | InChI=1S/C8H6ClFO2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,1H3 |
| InChIKey | CGOPETUZNLPTSU-UHFFFAOYSA-N |
| Mol Weight | 188.59 g/mol |
| Molecular Formula | C8H6ClFO2 |
| Exact Mass | 188.004035 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D28g6I2SEK7 |
|---|---|
| Name | Benzoic acid, 2-chloro-6-fluoro-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.004035294 u |
| Formula | C8H6ClFO2 |
| InChI | InChI=1S/C8H6ClFO2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,1H3 |
| InChIKey | CGOPETUZNLPTSU-UHFFFAOYSA-N |
| Molecular Weight | 188.585 g/mol |
| SMILES | C1=C(C(=C(C=C1)Cl)C(=O)OC)F |