| SpectraBase Compound ID | 96zO9BRb2Ij |
|---|---|
| InChI | InChI=1S/C13H13BrF2O2/c1-2-11(18-12(17)13(14,15)16)9-8-10-6-4-3-5-7-10/h2-7,11H,1,8-9H2 |
| InChIKey | HTXVLOSLCBCGPP-UHFFFAOYSA-N |
| Mol Weight | 319.15 g/mol |
| Molecular Formula | C13H13BrF2O2 |
| Exact Mass | 318.006699 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8nUqHXguHaC |
|---|---|
| Name | 5-Phenyl-1-penten-3-yl-bromodifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.006698983 u |
| Formula | C13H13BrF2O2 |
| InChI | InChI=1S/C13H13BrF2O2/c1-2-11(18-12(17)13(14,15)16)9-8-10-6-4-3-5-7-10/h2-7,11H,1,8-9H2 |
| InChIKey | HTXVLOSLCBCGPP-UHFFFAOYSA-N |
| Molecular Weight | 319.146 g/mol |
| SMILES | C(F)(F)(C(=O)OC(C=C)CCC1=CC=CC=C1)Br |