| SpectraBase Compound ID | 13LCRG39gy1 |
|---|---|
| InChI | InChI=1S/C20H15BrO3/c21-17-8-4-7-16(13-17)20(22)24-19-11-9-18(10-12-19)23-14-15-5-2-1-3-6-15/h1-13H,14H2 |
| InChIKey | GWCQOJLRRMTTEU-UHFFFAOYSA-N |
| Mol Weight | 383.24 g/mol |
| Molecular Formula | C20H15BrO3 |
| Exact Mass | 382.020457 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CCUFPFhgPWu |
|---|---|
| Name | Benzoic acid, 3-bromo-, 4-benzyloxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.020457340 u |
| Formula | C20H15BrO3 |
| InChI | InChI=1S/C20H15BrO3/c21-17-8-4-7-16(13-17)20(22)24-19-11-9-18(10-12-19)23-14-15-5-2-1-3-6-15/h1-13H,14H2 |
| InChIKey | GWCQOJLRRMTTEU-UHFFFAOYSA-N |
| Molecular Weight | 383.241 g/mol |
| SMILES | C(C1=CC(Br)=CC=C1)(OC=1C=CC(OCC2=CC=CC=C2)=CC1)=O |