| SpectraBase Compound ID | 8JAR4ax0ZWK |
|---|---|
| InChI | InChI=1S/C20H28BrFO4/c1-2-3-4-5-6-9-14-25-19(23)10-7-8-11-20(24)26-18-13-12-16(22)15-17(18)21/h12-13,15H,2-11,14H2,1H3 |
| InChIKey | WDPIWKNGGXDDPH-UHFFFAOYSA-N |
| Mol Weight | 431.34 g/mol |
| Molecular Formula | C20H28BrFO4 |
| Exact Mass | 430.115501 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3EckjDnQP4 |
|---|---|
| Name | Adipic acid, 2-bromo-4-fluorophenyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 430.115500541 u |
| Formula | C20H28BrFO4 |
| InChI | InChI=1S/C20H28BrFO4/c1-2-3-4-5-6-9-14-25-19(23)10-7-8-11-20(24)26-18-13-12-16(22)15-17(18)21/h12-13,15H,2-11,14H2,1H3 |
| InChIKey | WDPIWKNGGXDDPH-UHFFFAOYSA-N |
| Molecular Weight | 431.342 g/mol |
| SMILES | C(OC(CCCCC(=O)OC1=CC=C(C=C1Br)F)=O)CCCCCCC |