| SpectraBase Compound ID | 4USQsHAdpKX |
|---|---|
| InChI | InChI=1S/C14H17BrO3/c1-18-14(17)12(13(16)8-5-9-15)10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3 |
| InChIKey | WVOQDBFGASSRRH-UHFFFAOYSA-N |
| Mol Weight | 313.19 g/mol |
| Molecular Formula | C14H17BrO3 |
| Exact Mass | 312.036107 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AEWUur6yMFz |
|---|---|
| Name | 2-Benzyl-6-bromo-3-oxohexanoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.036107404 u |
| Formula | C14H17BrO3 |
| InChI | InChI=1S/C14H17BrO3/c1-18-14(17)12(13(16)8-5-9-15)10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3 |
| InChIKey | WVOQDBFGASSRRH-UHFFFAOYSA-N |
| Molecular Weight | 313.191 g/mol |
| SMILES | C(C(C(CCCBr)=O)CC=1C=CC=CC1)(=O)OC |