| SpectraBase Compound ID | ESm8CThUjV4 |
|---|---|
| InChI | InChI=1S/C18H24BrFO4/c1-2-3-4-7-12-23-17(21)8-5-6-9-18(22)24-16-11-10-14(20)13-15(16)19/h10-11,13H,2-9,12H2,1H3 |
| InChIKey | FDFMOIZXSPSDJA-UHFFFAOYSA-N |
| Mol Weight | 403.29 g/mol |
| Molecular Formula | C18H24BrFO4 |
| Exact Mass | 402.0842 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9cN9jXDSkP7 |
|---|---|
| Name | Adipic acid, 2-bromo-4-fluorophenyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.084200412 u |
| Formula | C18H24BrFO4 |
| InChI | InChI=1S/C18H24BrFO4/c1-2-3-4-7-12-23-17(21)8-5-6-9-18(22)24-16-11-10-14(20)13-15(16)19/h10-11,13H,2-9,12H2,1H3 |
| InChIKey | FDFMOIZXSPSDJA-UHFFFAOYSA-N |
| Molecular Weight | 403.288 g/mol |
| SMILES | C(CCCCC(=O)OC1=C(C=C(C=C1)F)Br)(OCCCCCC)=O |