| SpectraBase Compound ID | 7ZEIWNdBuQS |
|---|---|
| InChI | InChI=1S/C20H13BrO4/c21-14-10-12-16(13-11-14)25-20(23)18-9-5-4-8-17(18)19(22)24-15-6-2-1-3-7-15/h1-13H |
| InChIKey | GDIWWAVAGANRLD-UHFFFAOYSA-N |
| Mol Weight | 397.22 g/mol |
| Molecular Formula | C20H13BrO4 |
| Exact Mass | 395.999722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LE9JakkBZUF |
|---|---|
| Name | Phthalic acid, 4-bromophenyl phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 395.999721895 u |
| Formula | C20H13BrO4 |
| InChI | InChI=1S/C20H13BrO4/c21-14-10-12-16(13-11-14)25-20(23)18-9-5-4-8-17(18)19(22)24-15-6-2-1-3-7-15/h1-13H |
| InChIKey | GDIWWAVAGANRLD-UHFFFAOYSA-N |
| Molecular Weight | 397.224 g/mol |
| SMILES | C1=C(C(=CC=C1)C(OC1=CC=CC=C1)=O)C(OC1=CC=C(C=C1)Br)=O |