| SpectraBase Compound ID | Iqh7XpWDIlu |
|---|---|
| InChI | InChI=1S/C16H20BrFO4/c1-10(2)11(3)21-15(19)5-4-6-16(20)22-14-8-7-12(18)9-13(14)17/h7-11H,4-6H2,1-3H3 |
| InChIKey | UHYGSNLXLWOMPY-UHFFFAOYSA-N |
| Mol Weight | 375.23 g/mol |
| Molecular Formula | C16H20BrFO4 |
| Exact Mass | 374.0529 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9QE8CyToxbS |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-yl 2-bromo-4-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.052900283 u |
| Formula | C16H20BrFO4 |
| InChI | InChI=1S/C16H20BrFO4/c1-10(2)11(3)21-15(19)5-4-6-16(20)22-14-8-7-12(18)9-13(14)17/h7-11H,4-6H2,1-3H3 |
| InChIKey | UHYGSNLXLWOMPY-UHFFFAOYSA-N |
| Molecular Weight | 375.234 g/mol |
| SMILES | C(CCC(OC(C(C)C)C)=O)C(OC=1C(=CC(=CC1)F)Br)=O |