| SpectraBase Compound ID | DQ0YErRKKwt |
|---|---|
| InChI | InChI=1S/C13H15BrO3/c1-9(2)7-13(16)17-8-12(15)10-3-5-11(14)6-4-10/h3-6,9H,7-8H2,1-2H3 |
| InChIKey | DXWGGZFKVSUFNC-UHFFFAOYSA-N |
| Mol Weight | 299.16 g/mol |
| Molecular Formula | C13H15BrO3 |
| Exact Mass | 298.020457 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | fIVBCfxWUF |
|---|---|
| Name | p-Bromophenacyl isovalerate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.020457340 u |
| Formula | C13H15BrO3 |
| InChI | InChI=1S/C13H15BrO3/c1-9(2)7-13(16)17-8-12(15)10-3-5-11(14)6-4-10/h3-6,9H,7-8H2,1-2H3 |
| InChIKey | DXWGGZFKVSUFNC-UHFFFAOYSA-N |
| Molecular Weight | 299.164 g/mol |
| SMILES | C1=C(C=CC(=C1)C(COC(CC(C)C)=O)=O)Br |