| SpectraBase Compound ID | 9WEmDhFE1a1 |
|---|---|
| InChI | InChI=1S/C16H13BrO4/c17-13-8-6-12(7-9-13)15(18)10-21-16(19)11-20-14-4-2-1-3-5-14/h1-9H,10-11H2 |
| InChIKey | ZWQQVIQRTFKJHI-UHFFFAOYSA-N |
| Mol Weight | 349.18 g/mol |
| Molecular Formula | C16H13BrO4 |
| Exact Mass | 347.999722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ZzmKDOzoU7 |
|---|---|
| Name | Acetic acid, phenoxy-, 2-(4-bromophenyl)-2-oxoethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.999721895 u |
| Formula | C16H13BrO4 |
| InChI | InChI=1S/C16H13BrO4/c17-13-8-6-12(7-9-13)15(18)10-21-16(19)11-20-14-4-2-1-3-5-14/h1-9H,10-11H2 |
| InChIKey | ZWQQVIQRTFKJHI-UHFFFAOYSA-N |
| Molecular Weight | 349.180 g/mol |
| SMILES | C(OCC(C=1C=CC(=CC1)Br)=O)(=O)COC=1C=CC=CC1 |