| SpectraBase Compound ID | 3vU4HIoXfLl |
|---|---|
| InChI | InChI=1S/C17H15BrO4/c1-11-5-3-6-13(9-11)17(20)22-15-8-4-7-14(10-15)21-16(19)12(2)18/h3-10,12H,1-2H3 |
| InChIKey | GDMWCSHBXBJVSP-UHFFFAOYSA-N |
| Mol Weight | 363.21 g/mol |
| Molecular Formula | C17H15BrO4 |
| Exact Mass | 362.015372 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 44nniASN5ES |
|---|---|
| Name | 1,3-Benzenediol, o-(2-bromopropionyl)-o'-(3-methylbenzoyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.015371959 u |
| Formula | C17H15BrO4 |
| InChI | InChI=1S/C17H15BrO4/c1-11-5-3-6-13(9-11)17(20)22-15-8-4-7-14(10-15)21-16(19)12(2)18/h3-10,12H,1-2H3 |
| InChIKey | GDMWCSHBXBJVSP-UHFFFAOYSA-N |
| Molecular Weight | 363.207 g/mol |
| SMILES | C1=C(C=CC=C1OC(=O)C1=CC(C)=CC=C1)OC(C(C)Br)=O |