| SpectraBase Compound ID | DCV1606jMx2 |
|---|---|
| InChI | InChI=1S/C18H24BrFO4/c1-3-4-5-7-13(2)23-17(21)8-6-9-18(22)24-16-11-10-14(20)12-15(16)19/h10-13H,3-9H2,1-2H3 |
| InChIKey | FUHVWNGEWUUOOY-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 | IgUxzE3CWhE |
|---|---|
| Name | Glutaric acid, hept-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 | 402.084200412 u |
| Formula | C18H24BrFO4 |
| InChI | InChI=1S/C18H24BrFO4/c1-3-4-5-7-13(2)23-17(21)8-6-9-18(22)24-16-11-10-14(20)12-15(16)19/h10-13H,3-9H2,1-2H3 |
| InChIKey | FUHVWNGEWUUOOY-UHFFFAOYSA-N |
| Molecular Weight | 403.288 g/mol |
| SMILES | C(CCC(OC(C)CCCCC)=O)C(OC=1C(=CC(=CC1)F)Br)=O |